Basic information
- Standard SMILES
C=Cc1ccccc1CCl- InChIKey
KKLSEIIDJBCSRK-UHFFFAOYSA-N- Molecular formula
- C9H9Cl
- Average molar mass
- 152.62 g/mol
- Monoisotopic mass
- 152.03927797
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-2-ethenylbenzene
- IUPAC
- 1-(chloromethyl)-2-ethenylbenzene
- English name
- 1-(chloromethyl)-2-vinylbenzene
- Molecular formula
- C9H9Cl
- Molecular weight
- 152.62
Names & synonyms
1-(Chloromethyl)-2-vinylbenzene22570-84-91-(chloromethyl)-2-ethenylbenzeneo-vinylbenzyl chlorideE11K9944ZPDTXSID10177095RefChem:1054619DTXCID4099586245-092-52-ChloromethylstyreneBenzene, 1-(chloromethyl)-2-ethenyl-2-(Chloromethyl)styrene
Show more names
o-Chloromethylstyrene2-Vinylbenzyl chloride2-Vinylbenzyl chloride o-Chloromethylstyrene
1-chloromethyl-2-vinyl-benzeneEINECS 245-092-5starbld0032697chloromethyl vinyl benzeneSCHEMBL15850(Chloromethyl)ethenyl-BenzeneUNII-E11K9944ZPO-(CHLOROMETHYL)STYRENE
Database identifiers
- CAS
22570-84-9- PubChem CID
- 89757
- DTXSID
DTXSID10177095- UNII
- E11K9944ZP
- EC Number
- 245-092-5
- Nikkaji
- J91.307C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 223.4 · 223.4±9.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C9H9Cl/c1-2-8-5-3-4-6-9(8)7-10/h2-6H,1,7H2
- InChIKey
- KKLSEIIDJBCSRK-UHFFFAOYSA-N
- SMILES
- C1(CCl)=CC=CC=C1C=C
- FDA UNII
- 11 K9944ZP · E11K9944ZP
Chemistry & industry
Suppliers22 total
山东艾斯曼新材料有限公司13698626386 13698626386
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
济南盛邦生物科技有限公司13685312009 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
山东鼎皓生物科技有限公司0531-82616988 18300239268 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
江苏聚铭化工科技有限公司0510-80665518 13921219871 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Jiangsu Juming Chemical Technology Co., Ltd.+86-17798763151 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
常州北山化工有限公司+86-021-61559630 +86-13761092941 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
湖北沛恩生物科技有限公司13127581762 13127581762
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
南京美茵生命科技有限公司13585104388 · [email protected]
宁波微格芯材料科技有限公司17621104183 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
10 records
Linked notes
Loading…