3-chloropropiononitrile

Modify Date: 2024-01-02 10:44:03

3-chloropropiononitrile Structure
3-chloropropiononitrile structure
 Common Name 3-chloropropiononitrile
CAS Number 542-76-7 Molecular Weight 89.52360
Density 1.144 g/mL at 25 °C(lit.) Boiling Point 174-176 °C(lit.)
Molecular Formula C3H4ClN Melting Point −52-−50 °C(lit.)
MSDS Chinese USA Flash Point 168 °F
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name 3-chloropropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.144 g/mL at 25 °C(lit.)
Boiling Point 174-176 °C(lit.)
Melting Point −52-−50 °C(lit.)
Molecular Formula C3H4ClN
Molecular Weight 89.52360
Flash Point 168 °F
Exact Mass 89.00320
PSA 23.79000
LogP 1.13888
Index of Refraction n20/D 1.438(lit.)
Water Solubility 4.50 g/100 mL

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG1400000
CHEMICAL NAME :
Propionitrile, 3-chloro-
CAS REGISTRY NUMBER :
542-76-7
BEILSTEIN REFERENCE NO. :
1098454
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C3-H4-Cl-N
MOLECULAR WEIGHT :
89.53
WISWESSER LINE NOTATION :
NC2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar or venous dilation
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571125
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63 Volume(issue)/page/year: 2,2025,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01996

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H300-H331
Precautionary Statements P261-P264-P301 + P310-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T+:Verytoxic;
Risk Phrases R23;R28
Safety Phrases S36/37/39-S45
RIDADR UN 3276 6.1/PG 2
WGK Germany 3
RTECS UG1400000
Packaging Group II
Hazard Class 6.1
HS Code 29269095

 Synthetic Route

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

nitrile of 3-chloropropionic acid
3-chloro-propionitrile
1-Chloro-2-cyanoethane
EINECS 208-827-0
MFCD00001952
3-CHLOROPROPANONITRILE
3-Chloropropiononitrile
Propanenitrile,3-chloro
USAF A-8798
Propionitrile,3-chloro
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