Dichloroacetonitrile

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Names

[ CAS No. ]:
3018-12-0

[ Name ]:
Dichloroacetonitrile

[Synonym ]:
Dichlor-acetonitril
Acetonitrile,dichloro
Acetonitrile, 2,2-dichloro-
Dichloroacetonitrile
Trichloroacetonitrile
MFCD00040886
Dichloromethyl cyanide
EINECS 221-159-4
dicloroacetonitrile

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
112.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C2HCl2N

[ Molecular Weight ]:
109.942

[ Flash Point ]:
35.6±0.0 °C

[ Exact Mass ]:
108.948601

[ PSA ]:
23.79000

[ LogP ]:
1.07

[ Vapour Pressure ]:
21.7±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.448

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8465000
CHEMICAL NAME :
Acetonitrile, dichloro-
CAS REGISTRY NUMBER :
3018-12-0
BEILSTEIN REFERENCE NO. :
1739029
LAST UPDATED :
199612
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C2-H-Cl2-N
MOLECULAR WEIGHT :
109.94
WISWESSER LINE NOTATION :
NCYGG

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 :
330 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1260 mg/kg/14D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in thymus weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2970 mg/kg/90D-I
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
825 mg/kg
SEX/DURATION :
female 7-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Newborn - live birth index (measured after birth)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
825 mg/kg
SEX/DURATION :
female 7-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
325 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - gastrointestinal system Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
325 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
20800 nmol/L
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H314

[ Precautionary Statements ]:
P280-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 ]:
R10;R22;R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S25-S16

[ RIDADR ]:
UN 2920 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AL8465000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2926909090

Synthetic Route

Precursor & DownStream

Precursor

  • Trichloroacetonitrile
  • N-benzylideneperchlorovinylamine
  • Dichloroacetamide
  • 2,2,2-Trichloroacetamide
  • cytosine
  • Benzylamine
  • D-Cysteine
  • Uracil
  • N-chlorosuccinimide
  • Cyanoacetic acid

DownStream

  • Dichloroacetyl chloride
  • Trichloroacetonitrile
  • 2,5-Dichoro-3-picoline
  • 2,4-dichloro-4-methyl-5-oxopentanenitrile
  • 2,2,2-Trichloroacetamide
  • Dichloroacetamide
  • Bromodichloroacetonitrile
  • 4-Chloro-2-(dichloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
  • Methyl 2-dichloromethyl-4,5-dihydrothiazole-4-carboxylate
  • (TRIFLUOROMETHYL)DICHLOROPHOSPHINE

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%

Articles

The formation potential of haloacetonitriles in the Dez River water, Iran.

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The formation potential of haloacetonitriles (HANsFP) from chlorination of raw water of the Dez River in Iran was determined. Samples were collected before treatment at an intake of a water treatment ...

Genotoxic activity of five haloacetonitriles: comparative investigations in the single cell gel electrophoresis (comet) assay and the ames-fluctuation test.

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Exposure to mutagenic disinfection byproducts leads to increase of antibiotic resistance in Pseudomonas aeruginosa.

Environ. Sci. Technol. 48(14) , 8188-95, (2014)

Bacterial antibiotic resistance (BAR) in drinking water has become a global issue because of its risks on the public health. Usually, the antibiotic concentrations in drinking water are too low to sel...


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Related Compounds

  • dichloroacetonitrile
  • Bromodichloroacetonitrile