Introduction：Basic information about CAS 3839-48-3|2-Chloro-2,4,6-cycloheptatrien-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | ChineseUSA | Flash Point | 102.7±15.4 °C |
|---|
| Symbol |
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 |
|---|
| InChIKey | MTHNMAUDCHXFMM-UHFFFAOYSA-N |
|---|
| SMILES | O=c1cccccc1Cl |
|---|
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 DATAACUTE 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 |
|---|
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 |
