Basic information
- CAS
74417-44-0- Standard SMILES
BrCc1nccc2ccccc12- InChIKey
WGMSTZBEMVJMCR-UHFFFAOYSA-N- Molecular formula
- C10H8BrN
- Average molar mass
- 222.08 g/mol
- Monoisotopic mass
- 220.98401136
Names & identifiers
- Preferred name
- 1-Bromomethylisoquinoline
- IUPAC
- 1-(bromomethyl)isoquinoline
- English name
- 1-Bromomethyl-isoquinoline
- Molecular formula
- C10H8BrN
- Molecular weight
- 222.08
Names & synonyms
74417-44-01-BromomethylisoquinolineDTXSID90379919RefChem:228693DTXCID503309451-(bromomethyl)isoquinoline1-bromomethyl-isoquinolineIsoquinoline, 1-(bromomethyl)-MFCD066570411-(bromomethyl) isoquinolineSCHEMBL242954CS-D1633
Show more names
AKOS009157635DS-7653SCHEMBL29526949SB38539SY033004DB-074817F036994
Database identifiers
- CAS
74417-44-0- PubChem CID
- 2776246
- DTXSID
DTXSID90379919
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 56 ℃ · 56℃
- Boiling point
- 322.1 · 322.1±17.0 °C(Predicted)
- Density
- 1.518 · 1.518
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.9 · 3.90±0.30(Predicted)
- Appearance
- Pale purple to purple Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · 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-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
廊坊凯美科思生物科技有限公司15901279280; 15901279280 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
上海智乾生物科技有限公司[email protected]
安徽勇晟医药科技有限公司021-50430803 18016036736;18017383231 · [email protected]
南京美韬医药科技有限公司[email protected] · [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]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
5 records
Compound notes
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