CAS 3018-12-0|Dichloroacetonitrile

Introduction:Basic information about CAS 3018-12-0|Dichloroacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDichloroacetonitrile
CAS Number3018-12-0Molecular Weight109.942
Density1.4±0.1 g/cm3Boiling Point112.5±0.0 °C at 760 mmHg
Molecular FormulaC2HCl2NMelting Point/
MSDSChineseUSAFlash Point35.6±0.0 °C
Symbol
GHS02, GHS05, GHS07
Signal WordDanger

Names

Name2,2-dichloroacetonitrile
SynonymMore Synonyms

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point112.5±0.0 °C at 760 mmHg
Molecular FormulaC2HCl2N
Molecular Weight109.942
Flash Point35.6±0.0 °C
Exact Mass108.948601
PSA23.79000
LogP1.07
Vapour Pressure21.7±0.2 mmHg at 25°C
Index of Refraction1.448
InChIKeySTZZWJCGRKXEFF-UHFFFAOYSA-N
SMILESN#CC(Cl)Cl
StabilityStable. Combustible. Incompatible with strong oxidizing agents.

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 WordDanger
Hazard StatementsH226-H302-H314
Precautionary StatementsP280-P305 + P351 + P338-P310
Personal Protective EquipmentFaceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesC:Corrosive;
Risk PhrasesR10;R22;R34
Safety PhrasesS26-S36/37/39-S45-S25-S16
RIDADRUN 2920 8/PG 2
WGK Germany3
RTECSAL8465000
Packaging GroupII
Hazard Class3
HS Code2926909090

Customs

HS Code2926909090
SummaryHS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Synonyms

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