Chloroacetyl chloride

Modify Date: 2024-01-01 20:56:18

Chloroacetyl chloride Structure
Chloroacetyl chloride structure
Common Name Chloroacetyl chloride
CAS Number 79-04-9 Molecular Weight 112.943
Density 1.4±0.1 g/cm3 Boiling Point 106.0±0.0 °C at 760 mmHg
Molecular Formula C2H2Cl2O Melting Point −22 °C(lit.)
MSDS Chinese USA Flash Point 34.0±20.2 °C
Symbol GHS05 GHS06 GHS08 GHS09
GHS05, GHS06, GHS08, GHS09
Signal Word Danger

 Names

Name Chloroacetyl chloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 106.0±0.0 °C at 760 mmHg
Melting Point −22 °C(lit.)
Molecular Formula C2H2Cl2O
Molecular Weight 112.943
Flash Point 34.0±20.2 °C
Exact Mass 111.948273
PSA 17.07000
LogP 0.69
Vapour density 3.9 (vs air)
Vapour Pressure 28.8±0.2 mmHg at 25°C
Index of Refraction 1.430
Stability Stable. Incompatible with strong bases, alcohols, strong oxidizing agents. May react violently on exposure to water or moisture.
Water Solubility reacts
Freezing Point -22.5℃

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AO6475000
CHEMICAL NAME :
Acetyl chloride, chloro-
CAS REGISTRY NUMBER :
79-04-9
BEILSTEIN REFERENCE NO. :
0605439
LAST UPDATED :
199712
DATA ITEMS CITED :
27
MOLECULAR FORMULA :
C2-H2-Cl2-O
MOLECULAR WEIGHT :
112.94
WISWESSER LINE NOTATION :
GV1G

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 :
208 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,607,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
662 mg/kg
TOXIC EFFECTS :
Skin and Appendages - corrosive (after topical exposure)
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 54(2),90,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 54(2),90,1989
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1300 ppm/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 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#04538
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 ppm/6H/4W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 ppm/6H/4W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
5 ppm/6H/4W-I
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493 *** REVIEWS *** ACGIH TLV-STEL 0.69 mg/m3 (0.15 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.23 mg/m3 (0.05 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-BELGIUM:TWA 0.05 ppm (0.23 mg/m3) JAN 1993 OEL-DENMARK:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.05 ppm (0.24 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO CHLOROACETYL CHLORIDE-air:10H TWA 0.05 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1131 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 66 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1131 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

 Safety Information

Symbol GHS05 GHS06 GHS08 GHS09
GHS05, GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H301 + H311 + H331-H314-H372-H400
Supplemental HS Contact with water liberates toxic gas., Reacts violently with water.
Precautionary Statements P261-P273-P280-P301 + P310-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C:Corrosive
Risk Phrases R14;R23/24/25;R35;R48/23;R50
Safety Phrases S9-S26-S36/37/39-S45-S61-S7/8
RIDADR UN 1752 6.1/PG 1
WGK Germany 3
RTECS AO6475000
Packaging Group I
Hazard Class 6.1
HS Code 2915900090

 Synthetic Route

 Preparation

79-04-9 preparation

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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 Synonyms

MFCD00000725
CHLOROACETYL CHLORIDE FOR PHARMA SYNTHESIS
CHLORO ACETYL CHLORIDE
Chloroacetylchloride
EINECS 201-171-6
ACETYL CHLORIDE,2-CHLORO-
CHLORACETYLCHLORIDE
CHLORACETYL CHLORIDE
CHLORO ACETYL CHLORIDE (CAC)
CHLOROACETIC CHLORIDE
2-chloroacetyl chloride
CHLORACETYLCHLORID
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