Basic information
- CAS
14815-87-3- Standard SMILES
COC(=O)c1ccc(C(Cl)(Cl)Cl)cc1- InChIKey
PWFPDRYHJFGZDV-UHFFFAOYSA-N- Molecular formula
- C9H7Cl3O2
- Average molar mass
- 253.5 g/mol
- Monoisotopic mass
- 251.9511625
Names & identifiers
- Preferred name
- Methyl 4-(trichloromethyl)benzoate
- IUPAC
- methyl 4-(trichloromethyl)benzoate
- English name
- methyl p-(trichloromethyl)benzoate
- Molecular formula
- C9H7Cl3O2
- Molecular weight
- 253.51
Names & synonyms
methyl 4-(trichloromethyl)benzoate14815-87-3Methyl p-(trichloromethyl)benzoateBenzoic acid, 4-(trichloromethyl)-, methyl esterMFCD00511226EINECS 238-886-84-trichloromethylbenzoic acid methyl estermethyl4-(trichloromethyl)benzoateSCHEMBL11452165DTXSID90163890p-(Methoxycarbonyl)benzotrichlorideCK1188
Show more names
AKOS015995363AS-67772SY045530DB-243723CS-0061846NS00024851F334162
Database identifiers
- CAS
14815-87-3- PubChem CID
- 84661
- DTXSID
DTXSID90163890- EC Number
- 238-886-8
- Nikkaji
- J227.202D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 59 · 59-60℃
- Boiling point
- 311 ℃ · 311℃
- Density
- 1.419 · 1.419
- Flash point
- 129 ℃ · 129℃
- storage temp.
- Sealed in dry,Room Temperature
Chemistry & industry
Suppliers25 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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