2-Chloro-2,4,6-cycloheptatrien-1-one

Modify Date: 2025-08-26 13:42:43

2-Chloro-2,4,6-cycloheptatrien-1-one Structure
2-Chloro-2,4,6-cycloheptatrien-1-one structure
Common Name 2-Chloro-2,4,6-cycloheptatrien-1-one
CAS Number 3839-48-3 Molecular Weight 140.567
Density 1.2±0.1 g/cm3 Boiling Point 250.8±29.0 °C at 760 mmHg
Molecular Formula C7H5ClO Melting Point 64-67ºC
MSDS Chinese USA Flash Point 102.7±15.4 °C
Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger

 Names

Name 2-Chloro-2,4,6-cycloheptatrien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 250.8±29.0 °C at 760 mmHg
Melting Point 64-67ºC
Molecular Formula C7H5ClO
Molecular Weight 140.567
Flash Point 102.7±15.4 °C
Exact Mass 140.002899
PSA 17.07000
LogP 0.85
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.559

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4025000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-chloro-
CAS REGISTRY NUMBER :
3839-48-3
BEILSTEIN REFERENCE NO. :
0471390
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-Cl-O
MOLECULAR WEIGHT :
140.57
WISWESSER LINE NOTATION :
L7VJ BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
93 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,918,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
47 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,918,1957

 Safety Information

Symbol GHS05 GHS07 GHS08
GHS05, GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H314-H317-H334
Precautionary Statements P261-P280-P305 + P351 + P338-P310
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes Xn
RIDADR UN3261 8/PG 3
RTECS GU4025000
HS Code 2914700090

 Synthetic Route

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

2,4,6-Cycloheptatrien-1-one, 2-chloro-
2-Chlorocyclohepta-2,4,6-trien-1-one
2-Chloro-2,4,6-cycloheptatrien-1-one
2-Chlorotropone
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