NTP CHEMICAL REPOSITORY (RADIAN CORPORATION, AUGUST 29, 1991)
IDENTIFIERS
CATALOG ID NUMBER: 001431
CAS NUMBER: 100-47-0
BASE CHEMICAL NAME: BENZONITRILE
PRIMARY NAME: BENZONITRILE
CHEMICAL FORMULA: C7H5N
STRUCTURAL FORMULA: C6H5CN
WLN: NCR
SYNONYMS:
BENZENENITRILE
BENZOIC ACID NITRILE
CYANOBENZENE
PHENYL CYANIDE
BENZENE, CYANO-
UN 2224
PHYSICAL CHEMICAL DATA
PHYSICAL DESCRIPTION: LITERATURE: Colorless oil
REPOSITORY: Clear colorless liquid
MOLECULAR WEIGHT: 103.12
SPECIFIC GRAVITY: 1.0102 @ 15/15 C [016,047]
DENSITY: 1.246 g/mL @ 20 C [043]
MP (DEG C): -13 C [016,051,055,269]
BP (DEG C): 190.7 C [016,033,055,062]
SOLUBILITIES:
WATER : 1-5 mg/mL @ 23 C (RAD)
DMSO : >=100 mg/mL @ 23 C (RAD)
95% ETHANOL : >=100 mg/mL @ 23 C (RAD)
METHANOL : Not available
ACETONE : >=100 mg/mL @ 23 C (RAD)
TOLUENE : Not available
OTHER SOLVENTS:
Alcohol: Soluble [016,205]
Benzene: Soluble [016,047,205]
Ether: Soluble [016,047,205]
Chloroform: Soluble [205]
Corn oil: 10 mg/mL [052]
Common organic solvents: Miscible [033]
VOLATILITY:
Vapor pressure: 1 mm Hg @ 28.2 C; 5 mm Hg @ 55.3 C; 10 mm Hg @ 69.2 C [038]
Vapor density : 3.6 [371]
FLAMMABILITY(FLASH POINT):
This chemical has a flash point of 71 C (161 F) [033,205,269,371]. It
is combustible. Fires involving this material can be controlled with a dry
chemical, carbon dioxide or Halon extinguisher. A water spray may also be
used [058,269].
UEL: 11.3% [058] LEL: 0.9% [058]
REACTIVITY:
This chemical is incompatible with strong acids, strong bases and strong
oxidizing agents [058,269]. It is also incompatible with strong reducing
agents [269]. It will attack some plastics [371].
STABILITY:
This chemical is stable for 2 weeks at temperatures up to 60 C when
protected from light [052]. Solutions of this chemical in water, DMSO,
95% ethanol or acetone should be stable for 24 hours under normal lab
conditions (RAD).
OTHER PHYSICAL DATA:
Boiling point: 123.5 C @ 100 mm Hg; 69.2 C @ 10 mm Hg; 28.2 C @ 1 mm Hg [033]
Vapor pressure: 20 mm Hg @ 83.4 C; 40 mm Hg @ 99.6 C; 60 mm Hg @ 109.8 C [038]
Vapor pressure: 100 mm Hg @ 123.5 C; 200 mm Hg @ 144.1 C [038]
Vapor pressure: 400 mm Hg @ 166.7 C [038]
Lambda max (in cyclohexane): 276.5 nm, 269.5 nm, 264 nm, 258 nm (shoulder),
250 nm (shoulder), 230 nm, 226 nm, 222 nm, 218 nm (shoulder) (epsilon =
656, 645, 431, 303, 157, 10900, 11600, 12100, 9780) [052]
Strong, cherry-like, sweet, almond odor [052]
Sharp taste [062]
Refractive index: 1.5289 @ 20 C [016,033,047,062]; 1.5257 @ 25 C [205]
Viscosity: 1.054 centistokes @ 37.8 C [062]
log P octanol: 1.56 [055]
Latent heat of vaporization: 87.6 cal/g [371]
Heat of combustion: -8400 cal/g [371]
Liquid surface tension: 34.7 dynes/cm [371]
Critical temperature: 426.2 C [371]
Critical pressure: 41.6 atmospheres [371]
TOXICITY
NIOSH REGISTRY NUMBER: DI2450000
TOXICITY:
typ. dose mode specie amount units other
LC50 ihl mus 6000 mg/m3
LCLo ihl rat 950 ppm/8H
LD50 ipr mus 400 mg/kg
LD50 ipr rbt 1250 mg/kg
LD50 orl cat 800 mg/kg
LD50 orl mus 971 mg/kg
LDLo orl rat 720 mg/kg
LD50 orl rbt 800 mg/kg
LDLo scu frg 1700 mg/kg
LD50 scu mus 180 mg/kg
LDLo scu pgn 500 mg/kg
LDLo scu rbt 200 mg/kg
LD50 skn rat 1200 mg/kg
AQTX/TLM96: Not available
SAX TOXICITY EVALUATION:
THR: Poison by intraperitoneal and subcutaneous routes. Moderately toxic
by ingestion, inhalation and skin contact. A skin irritant.
CARCINOGENICITY: Not available
MUTATION DATA: Not available
TERATOGENICITY: Not available
STANDARDS, REGULATIONS & RECOMMENDATIONS:
OSHA: None
ACGIH: None
NIOSH Criteria Document: None
NFPA Hazard Rating: Health (H): 2
Flammability (F): 2
Reactivity (R): 2
H2: Materials hazardous to health, but areas may be entered freely with
full-faced mask self-contained breathing apparatus which provides
eye protection (see NFPA for details).
F2: Materials which must be moderately heated before ignition will occur
(see NFPA for details).
R2: Materials which are normally unstable and readily undergo violent
chemical change but do not detonate (see NFPA for details).
OTHER TOXICITY DATA:
Skin and Eye Irritation Data:
skn-rbt 500 mg/24H MOD
Standards and Regulations: DOT-Hazard: Combustible liquid; Label: None
DOT-IMO: Poison B; Label: Poison
Status: EPA TSCA Chemical Inventory, 1986
IDLH value: 50 mg/m3 (as CN) [371]
OTHER DATA (Regulatory)
PROPER SHIPPING NAME (IATA): Benzonitrile
UN/ID NUMBER: UN2224
HAZARD CLASS: 6.1 SUBSIDIARY RISK: None PACKING GROUP: II
LABELS REQUIRED: Poison
PACKAGING: PASSENGER: PKG. INSTR.: 609, Y609 MAXIMUM QUANTITY: 5 L, 1 L
CARGO : PKG. INSTR.: 611 MAXIMUM QUANTITY: 60 L
SPECIAL PROVISIONS: None
USES:
This chemical is used as a solvent and chemical intermediate in the
pharmaceutical, dyestuffs and rubber industries. It is used in the manu-
facture of benzoguanamine, specialty lacquers, many resins and polymers and
many anhydrous metallic salts.
COMMENTS:
This chemical is released from polyurethane in fires [430].
HANDLING PROCEDURES
ACUTE/CHRONIC HAZARDS:
This compound is toxic by ingestion, inhalation, eye contact and skin
contact [036,269,346,371]. It is an irritant of the skin, eyes and respiratory
tract [036,371]. When heated to decomposition it emits toxic fumes of carbon
monoxide, carbon dioxide, nitrogen oxides and hydrocyanic acid [043,269,371].
MINIMUM PROTECTIVE CLOTHING: Not available
RECOMMENDED GLOVE MATERIALS:
Permeation Test Results For The Neat (Undiluted) Chemical:
The permeation test results for the neat (undiluted) chemical are given
below. The breakthrough times of this chemical are given for each glove type
tested. The table is a presentation of actual test results, not specific
recommendations or suggestions. Avoid glove types which exhibit breakthrough
times of less than the anticipated task time plus an adequate safety factor.
If this chemical makes direct contact with your glove, or if a tear, puncture
or hole develops, replace them at once.
Glove Type Model Number Thickness Breakthrough Time
Latex Ackwell 5-109 0.10 mm 0 min
Viton North F-091 0.28 mm 45 min
Butyl rubber North B-174 0.61 mm 480 min
PVA Edmont 25-545 0.25 mm 480 min
RECOMMENDED RESPIRATOR:
Where the neat test chemical is weighed and diluted, wear a NIOSH-
approved half face respirator equipped with an organic vapor/acid gas
cartridge (specific for organic vapors, HCl, acid gas and SO2) with a
dust/mist filter.
OTHER: Not available
STORAGE PRECAUTIONS:
You should protect this material from exposure to light. Keep it away
from oxidizing materials and store it under refrigerated temperatures.
SPILLS AND LEAKAGE:
If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then,
use absorbent paper to pick up all liquid spill material. Your contaminated
clothing and absorbent paper should be sealed in a vapor-tight plastic bag for
eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol
followed by washing with a soap and water solution. Do not reenter the
contaminated area until the Safety Officer (or other responsible person) has
verified that the area has been properly cleaned.
DISPOSAL AND WASTE TREATMENT: Not available
EMERGENCY PROCEDURES
SKIN CONTACT:
IMMEDIATELY flood affected skin with water while removing and isolating
all contaminated clothing. Gently wash all affected skin areas thoroughly
with soap and water.
If symptoms such as redness or irritation develop, IMMEDIATELY call a
physician and be prepared to transport the victim to a hospital for treatment.
INHALATION:
IMMEDIATELY leave the contaminated area; take deep breaths of fresh air.
If symptoms (such as wheezing, coughing, shortness of breath, or burning in
the mouth, throat, or chest) develop, call a physician and be prepared to
transport the victim to a hospital.
Provide proper respiratory protection to rescuers entering an unknown
atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA)
should be used; if not available, use a level of protection greater than or
equal to that advised under Respirator Recommendation.
EYE CONTACT:
First check the victim for contact lenses and remove if present. Flush
victim's eyes with water or normal saline solution for 20 to 30 minutes while
simultaneously calling a hospital or poison control center.
Do not put any ointments, oils, or medication in the victim's eyes without
specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if
no symptoms (such as redness or irritation) develop.
INGESTION:
DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing,
give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a
hospital or poison control center. Be prepared to transport the victim to a
hospital if advised by a physician.
If the victim is convulsing or unconscious, do not give anything by mouth,
ensure that the victim's airway is open and lay the victim on his/her side with
the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport
the victim to a hospital.
SYMPTOMS:
Symptoms of exposure to this compound include irritation of the skin,
eyes and respiratory system [036,371]. Other symptoms may include headache,
difficult breathing, weakness, confusion, nausea, vomiting, rapid pulse rate
and unconsciousness. The respiratory rate will be increased at the beginning,
becoming slow and gasping [371].
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