3-(Chloromethyl)benzoic acid structure
|
Common Name | 3-(Chloromethyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 31719-77-4 | Molecular Weight | 170.593 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 327.2±25.0 °C at 760 mmHg | |
| Molecular Formula | C8H7ClO2 | Melting Point | 136-138 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 151.7±23.2 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
| Name | 3-(Chloromethyl)benzoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 327.2±25.0 °C at 760 mmHg |
| Melting Point | 136-138 °C(lit.) |
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.593 |
| Flash Point | 151.7±23.2 °C |
| Exact Mass | 170.013458 |
| PSA | 37.30000 |
| LogP | 2.16 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.577 |
| InChIKey | PBSUMBYSVFTMNG-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(CCl)c1 |
| Storage condition | -20°C Freezer, Under Inert Atmosphere |
| Water Solubility | methanol: 20 mg/mL, clear |
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H312-H314-H332 |
| Precautionary Statements | 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 | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S45-S36/37/39 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 2916399090 |
| Precursor 6 | |
|---|---|
| DownStream 9 | |
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
|
Molecular structural index control in property-directed clustering and correlation. King JW and Molnar SP.
Int. J. Quantum Chem. 80(6) , 1164-1171, (2000)
|
| 2-chloromethylbenzoic acid |
| MFCD00191922 |
| 3-(Chloromethyl)benzoic acid |
| 3-Carboxybenzyl chloride |
| Benzoic acid, 3-(chloromethyl)- |