Basic information
- CAS
2622-74-4- Standard SMILES
Brc1ccc(-c2nc3ccccc3[nH]2)cc1- InChIKey
YRWMGOSKROWAIT-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2
- Average molar mass
- 273.13 g/mol
- Monoisotopic mass
- 271.99491
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-(4-bromophenyl)-1H-benzimidazole
- IUPAC
- 2-(4-bromophenyl)-1H-benzimidazole
- English name
- 2-(4-Bromophenyl)benzimidazole
- Molecular formula
- C13H9BrN2
- Molecular weight
- 273.13
Names & synonyms
2-(4-bromophenyl)-1H-benzimidazoleRefChem:9093082622-74-42-(4-Bromophenyl)benzimidazole2-(4-Bromophenyl)-1H-benzo[d]imidazoleMFCD002243601H-BENZIMIDAZOLE, 2-(4-BROMOPHENYL)-2-(4-BROMOPHENYL)BENZOIMIDAZOLE2-(4-Bromo-phenyl)-1H-benzoimidazole2-(4-bromophenyl)-1H-benzoimidazoleNSC144032BPBMZ
Show more names
2-(4-Bromophenyl)benzimidazole >2-(4-bromophenyl)-1H-benzoimidazole
2-(4-BROMOPHENYL)-1H-1,3-BENZODIAZOLESCHEMBL481735DTXSID80301527ALBB-023130SBB045091STK864732AKOS000275508CS-W012346
Database identifiers
- CAS
2622-74-4- PubChem CID
- 286182
- DTXSID
DTXSID80301527- Nikkaji
- J2.113.413I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 299 °C · 299 °C
- Boiling point
- 435 · 435.0±47.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.24 · 11.24±0.10(Predicted)
- form
- Solid
- color
- White to Brown
- InChI
- InChI=1S/C13H9BrN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
- InChIKey
- YRWMGOSKROWAIT-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(Br)C=C2)NC2=CC=CC=C2N=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933.29 · 2933.29.4300
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
- hs_code
- 2933.29.4300
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
5 records
Compound notes
Loading…