2-Chloroisophthalonitrile

Modify Date: 2025-08-25 08:58:04

2-Chloroisophthalonitrile Structure
2-Chloroisophthalonitrile structure
 Common Name 2-Chloroisophthalonitrile
CAS Number 28442-78-6 Molecular Weight 162.576
Density 1.3±0.1 g/cm3 Boiling Point 294.4±20.0 °C at 760 mmHg
Molecular Formula C8H3ClN2 Melting Point N/A
MSDS N/A Flash Point 135.6±16.0 °C

 Names

Name 2-chlorobenzene-1,3-dicarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 294.4±20.0 °C at 760 mmHg
Molecular Formula C8H3ClN2
Molecular Weight 162.576
Flash Point 135.6±16.0 °C
Exact Mass 161.998474
PSA 47.58000
LogP 1.35
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.586
InChIKey KELQMIQLTBTJNV-UHFFFAOYSA-N
SMILES N#Cc1cccc(C#N)c1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ1937000
CHEMICAL NAME :
1,3-Benzenedicarbonitrile, 2-chloro-
CAS REGISTRY NUMBER :
28442-78-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H3-Cl-N2
MOLECULAR WEIGHT :
162.58
WISWESSER LINE NOTATION :
NCR BG CCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

Isophthalonitrile structure

Isophthalonitrile

CAS#:626-17-5

~89%

2-Chloroisophthalonitrile Structure

2-Chloroisophth...

CAS#:28442-78-6

Literature: Betson, Mark S.; Clayden, Jonathan; Worrall, Christopher P.; Peace, Simon Angewandte Chemie - International Edition, 2006 , vol. 45, # 35 p. 5803 - 5807
2-Nitroisophthalonitrile structure

2-Nitroisophtha...

CAS#:51762-72-2

~60%

2-Chloroisophthalonitrile Structure

2-Chloroisophth...

CAS#:28442-78-6

Literature: Gorvin, John H. Journal of Chemical Research, Miniprint, 1992 , # 7 p. 1831 - 1851

 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

2,6-Dicyanochlorobenzene
2-chloro-1,3-dicyanobenzene
1,3-Benzenedicarbonitrile,2-chloro
2-Chlorisophthalonitril
1,3-Benzenedicarbonitrile, 2-chloro-
2-Chloroisophthalonitrile
2-Chloro-1,3-benzenedicarbonitrile
chloroisophthalonitrile
1-Chloro-2,6-Dicyanobenzene
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