Basic information
- CAS
861840-51-9- Standard SMILES
COC(=O)c1c(I)cccc1CBr- InChIKey
DTOLJTTUAHSMQR-UHFFFAOYSA-N- Molecular formula
- C9H8BrIO2
- Average molar mass
- 354.97 g/mol
- Monoisotopic mass
- 353.8752396
Names & identifiers
- Preferred name
- Methyl 2-(bromomethyl)-6-iodobenzoate
- IUPAC
- methyl 2-(bromomethyl)-6-iodobenzoate
- English name
- Benzoic acid, 2-(broMoMethyl)-6-iodo-, Methyl ester
- Molecular formula
- C9H8BrIO2
- Molecular weight
- 354.97
Names & synonyms
methyl 2-(bromomethyl)-6-iodobenzoate861840-51-9Benzoic acid, 2-(bromomethyl)-6-iodo-, methyl esterMFCD20529140Methyl 2-(bromomethyl)-6-iodo-benzoatemethyl2-(bromomethyl)-6-iodobenzoatemethyl 6-bromomethyl-2-iodobenzoateSCHEMBL1091533DTXSID00460706DTOLJTTUAHSMQR-UHFFFAOYSA-NAKOS015851478AS-36598
Show more names
2-（bromethyl）-6-iodomethyl benzoate
SY242347DB-320070CS-00618152-bromomethyl-6-iodo-benzoic acid methyl esterF499616
Database identifiers
- CAS
861840-51-9- PubChem CID
- 11268261
- DTXSID
DTXSID00460706
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海安米克化学品有限公司微信：17321281695 18019252918
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
南京英士奇生物科技有限公司18727012071 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
Related reactions
49 records
Compound notes
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