2-Chloro-2,4,6-cycloheptatrien-1-one
Names
[ CAS No. ]:
3839-48-3
[ Name ]:
2-Chloro-2,4,6-cycloheptatrien-1-one
[Synonym ]:
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
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
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
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%