Basic information
- CAS
281192-91-4- Standard SMILES
Cn1cc(Br)c2cccnc21- InChIKey
GBHFSEKDEABVOP-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926032
Names & identifiers
- Preferred name
- 3-Bromo-1-methyl-7-azaindole
- IUPAC
- 3-bromo-1-methylpyrrolo[2,3-b]pyridine
- English name
- 1-Methyl-3-bromo-7-azaindole
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
3-Bromo-1-methyl-7-azaindoleRefChem:498253685-686-53-bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine281192-91-43-bromo-1-methylpyrrolo[2,3-b]pyridine1-methyl-3-bromo-7-azaindoleMFCD09743454DTXSID00459433AKOS022691235AB51141SY066937
Show more names
3-Bromo-1-methyl-7-azaindole 97%1H-PYRROLO[2,3-B]PYRIDINE,3-BROMO-1-METHYL-
AM8036313-Bromo-1-methyl-7-azaA900522SCHEMBL1892910SCHEMBL307311923-Bromo-1-methyl-7-azaindole, 97%AS-59351CS-0039092
Database identifiers
- CAS
281192-91-4- PubChem CID
- 11229587
- DTXSID
DTXSID00459433- EC Number
- 685-686-5
- Nikkaji
- J1.284.254F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 315.3 · 315.3±22.0 °C(Predicted)
- Density
- 1.505 g/mL · 1.505 g/mL at 25 °C
- refractive index
- 20 · n20/D1.629
- Flash point
- 110 ℃ · >110℃
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- liquid
- pka
- 4.1 · 4.10±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid-liquid mixture
- InChI
- 1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
- InChIKey
- GBHFSEKDEABVOP-UHFFFAOYSA-N
- SMILES
- Cn1cc(Br)c2cccnc12
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Suppliers40 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
Related reactions
2 records
Compound notes
Loading…