Basic information
- CAS
1201-90-7- Standard SMILES
CCOC(=O)c1ccc(CCl)cc1- InChIKey
JTTXRFNOFFGPFI-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- Ethyl 4-(Chloromethyl)benzoate
- IUPAC
- ethyl 4-(chloromethyl)benzoate
- English name
- Ethyl 4-chloromethylbenzoate
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
Ethyl 4-(Chloromethyl)benzoateDTXSID60298608RefChem:595249DTXCID50249745680-045-61201-90-7Ethyl 4-chloromethylbenzoateBenzoic acid, 4-(chloromethyl)-, ethyl ester4-(Chloromethyl)benzoic Acid Ethyl EsterMFCD04337336NSC124619Ethyl4-(Chloromethyl)benzoate
Show more names
Ethyl 4-(chloromethyl)4-(Chloromethyl)benzoateTranexamic Acid Impurity 17ETHYL P-(CHLOROMETHYL)BENZOATEEthyl 4-chloromethylbenzoate NAEthyl4-(Chloromethyl)benzoate>4-Chloromethylbenzoate ethyl ester
SCHEMBL3254724SCHEMBL7971504JTTXRFNOFFGPFI-UHFFFAOYSA-NALBB-0150724-chloromethylbenzoic acid ethyl esterAKOS005175079NSC-124619LS-04790
Database identifiers
- CAS
1201-90-7- PubChem CID
- 276519
- DTXSID
DTXSID60298608- EC Number
- 680-045-6
- Nikkaji
- J723.722G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 280 °C · 280 °C
- Density
- 1.17 · 1.17
- refractive index
- 1.529 · 1.5290-1.5330
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 1201 · 1201-90-7(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
- RIDADR
- 1760 · 1760
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 2916399090 · 2916399090
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- ridadr
- 1760
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers65 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司
Related reactions
3 records
Compound notes
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