1H-Imidazole, 4-bromo-

HCID 96125
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Basic information

CAS
2302-25-2
Standard SMILES
Brc1cnc[nH]1
InChIKey
FHZALEJIENDROK-UHFFFAOYSA-N
Molecular formula
C3H3BrN2
Average molar mass
146.97 g/mol
Monoisotopic mass
145.94796

Names & identifiers

Preferred name
1H-Imidazole, 4-bromo-
IUPAC
5-bromo-1H-imidazole
English name
4-Bromo-1H-imidazole
Molecular formula
C3H3BrN2
Molecular weight
146.97

Names & synonyms

4-Bromo-1H-imidazole2302-25-24-Bromoimidazole1H-Imidazole, 4-bromo-Imidazole, 4-bromo-4(or 5)-BromoimidazoleDTXSID50177574NSC 54254NSC 227280RefChem:438298Imidazole, 4-bromo-(8CI)DTXCID10100065
Show more names
4-bromo-imidazol4-Bromine imidazole4-bromo-1h-imidazol4(5)-BROMO IMIDAZOLE4(or5)-bromoimidazole4(or5)-bromo-imidazol4-Bromoimidazole 98+
Imidazole, 4(or 5)-bromo-(6CI,7CI)627-452-75-bromo-1H-imidazole1H-Imidazole, 5-bromo-5-bromoimidazoleMFCD00047021B9S8CMG5ADImidazole, 4(or 5)-bromo-

Database identifiers

CAS
2302-25-2
PubChem CID
96125
DTXSID
DTXSID50177574
ChEMBL
CHEMBL1232569
UNII
B9S8CMG5AD
EC Number
627-452-7
Nikkaji
J103.201A

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

Physicochemical properties

Melting point
131 · 131-135 °C (lit.)
Boiling point
324.7 · 324.7±15.0 °C(Predicted)
Density
1.904 · 1.904±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
solubility
soluble in Dimethylformamide
pka
11.7 · 11.70±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (95.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 8 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. 3 (95.7%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (93.5%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
rtecs
NI3517450
ridadr
UN 2811 6.1/PG 3
hs_code
29339900
Toxicity
rat,LD50,oral,250mg/kg (250mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)GASTROINTESTINAL: OTHER CHANGES,Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.

Chemistry & industry

Applications

UsesEmployed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field

General Description4-Bromo-1H-imidazole (4-Br-1H-Im) is a heterocyclic building block containing an imidazole ring. It crystallizes in the monoclinic space group P21/c.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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