3-(Chloromethyl)benzoic acid
ALDRICH/424315 - 97%
Synonym: α-Chloro-m-toluic acid
CAS Number: 31719-77-4
Empirical Formula (Hill Notation): C8H7ClO2
Molecular Weight: 170.59
MDL Number: MFCD00191922
Linear Formula: ClCH2C6H4CO2H
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 424315-25G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 424315-5G
| assay | 97% |
| InChI | 1S/C8H7ClO2/c9-5-6-2-1-3- |
| InChI key | PBSUMBYSVFTMNG-UHFFFAOYSA |
| mp | 136-138 °C (lit.) |
| SMILES string | OC(=O)c1cccc(CCl)c1 |
| solubility | methanol: soluble 20 mg/mL, clear |
| General description: | 3-(Chloromethyl)benzoic acid (m-Chloromethylbenzoic acid) is a meta-substituted benzoic acid derivative. Correlations between Hammett substituent constants and calculated dipole moments and molecular transform and normalized molecular moment structure indices for m-chloromethylbenzoic acid was investigated. Hammett constants were observed to be linearly related only to the normalized charge moment index. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 - H312 - H314 - H332 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 20/21/22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3261 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 97% |
| mp | 136-138 °C (lit.) |
| UNSPSC | 12352100 |