Basic information
- CAS
16681-56-4- Standard SMILES
Brc1ncc[nH]1- InChIKey
AXHRGVJWDJDYPO-UHFFFAOYSA-N- Molecular formula
- C3H3BrN2
- Average molar mass
- 146.97 g/mol
- Monoisotopic mass
- 145.94796
Names & identifiers
- Preferred name
- 2-Bromo-1H-imidazole
- IUPAC
- 2-bromo-1H-imidazole
- English name
- 2-Bromo-1H-imidazole
- Molecular formula
- C3H3BrN2
- Molecular weight
- 146.97
Names & synonyms
2-Bromo-1H-imidazole16681-56-4DTXSID40378316RefChem:256932DTXCID40329343626-352-02-BromoimidazoleMFCD02179526bromoimidazoleCHEMBL2920422-bromoimidazol2-bromo imidazole
Show more names
mo-1H-imidazolebroMo-1H-iMidazole1H-Imidazole, 2-bromo-Etomidate Impurity 1112-Bromo-1H-imidazole 98%1H-Imidazole,2-bromo-(9CI)2-Bromo-1H-Imidazole(WX637273)
ZCIimidazole, 2-bromo-SCHEMBL68370SCHEMBL2041196SCHEMBL2043331SCHEMBL20439202-Bromo-1H-imidazole, 97%BDBM50622813
Database identifiers
- CAS
16681-56-4- PubChem CID
- 2773261
- DTXSID
DTXSID40378316- ChEMBL
CHEMBL292042- EC Number
- 626-352-0
- Nikkaji
- J420.209K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 48
Physicochemical properties
- Melting point
- 197 · 197-202 °C
- Boiling point
- 273.1 · 273.1±23.0 °C(Predicted)
- Density
- 1.904 · 1.904±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.23 · 11.23±0.10(Predicted)
- form
- solid
- color
- White to off-white
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
- InChIKey
- AXHRGVJWDJDYPO-UHFFFAOYSA-N
- SMILES
- C1(Br)NC=CN=1
- CAS DataBase Reference
- 16681 · 16681-56-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 26 · 26-36/37/39-39
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Keep Cold
- HS Code
- 29332900 · 29332900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Irrit. 2 (97.6%)；Eye Dam. 1 (95.2%)；STOT SE 3 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- hazard_note
- Harmful/Keep Cold
- safety_code
- 26-36/37/39-39
- Storage Class
- 11 - Combustible Solids
- 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
Applications
Uses2-Bromoimidazole is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
杭州东帆化学有限公司86-0571-85151182
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
嘉兴诺华化工有限公司18957373295
上海马氏化学科技有限公司19916721580 · [email protected]
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上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [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]
南京仁亚医药科技有限公司+86-15251749953 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
南京凯莫森医药科技有限公司18114022054; 18114022054
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南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
Related reactions
7 records
Compound notes
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