Basic information
- CAS
34040-63-6- Standard SMILES
COC(=O)c1cccc(CCl)c1- InChIKey
NEXHXAMAIMAABX-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.02910721
Names & identifiers
- Preferred name
- Methyl 3-(chloromethyl)benzoate
- IUPAC
- methyl 3-(chloromethyl)benzoate
- English name
- Methyl 3-(chloromethyl)benzoate
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
Methyl 3-(chloromethyl)benzoate34040-63-6DTXSID90390629RefChem:814985DTXCID50341490662-165-03-(Chloromethyl)-benzoic acid methyl esterMETHYLM-(CHLOROMETHYL)BENZOATEMethyl3-(chloromethyl)benzoateMFCD00157184Benzoic acid, 3-(chloromethyl)-, methyl ester3-CHLOROMETHYL-BENZOIC ACID METHYL ESTER
Show more names
METHYL M-(CHLOROMETHYL)BENZOATE3-CHLOROMETHYL-BENZOIC ACID METHYL ESTER,90%
3-(methoxycarbonyl)benzyl chlorideKetoprofen Impurity 64SCHEMBL1311719methyl-3-(chloromethyl)benzoateNEXHXAMAIMAABX-UHFFFAOYSA-NMethyl 3-(chloromethyl)benzoate 98%AKOS006239049METHYL (3-CHLOROMETHYLBENZOATE)
Database identifiers
- CAS
34040-63-6- PubChem CID
- 3248988
- DTXSID
DTXSID90390629- EC Number
- 662-165-0
- Nikkaji
- J461.266C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 148 · 148-160 °C(Press: 21 Torr)
- Density
- 1.19 g/ml · 1.19g/ml
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H317-H335
- Precautionary statements
- 260 · P260-P280-P362+P364
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314-H317-H335
- Precautionary statements
- P260-P280-P362+P364
Chemistry & industry
Applications
UsesMethyl 3-(chloromethyl)benzoate
Upstream & downstream products
Downstream products
Suppliers54 total
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西仁恒益德生物科技有限公司15319940549 15319940549 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
14 records
Compound notes
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