5,6-Dichloro-1H-benzimidazole

HCID 331775
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Basic information

CAS
6478-73-5
Standard SMILES
Clc1cc2nc[nH]c2cc1Cl
InChIKey
IPRDZAMUYMOJTA-UHFFFAOYSA-N
Molecular formula
C7H4Cl2N2
Average molar mass
187.02 g/mol
Monoisotopic mass
185.97515349

Overview

inhibits transcript elongation

Names & identifiers

Preferred name
5,6-Dichloro-1H-benzimidazole
IUPAC
5,6-dichloro-1H-benzimidazole
English name
5,6-Dichlorobenzimidazole
Molecular formula
C7H4Cl2N2
Molecular weight
187.03

Names & synonyms

6478-73-55,6-dichlorobenzimidazole5,6-Dichloro-1H-benzimidazoleNSC-32639762J7FY37SDDTXSID40215090NSC-639385,6-dichloro-1--beta-D-benzimidazoleRefChem:101134DTXCID40137581835-179-15,6-dichloro-1H-benzo[d]imidazole
Show more names
NSC 6393NSC 63938BUTTPARK 121\15-71Astemizole Impurity 55, 6-dichlorobenidazole
5,6-dichloro-1H-1,3-benzodiazole1H-Benzimidazole, 5,6-dichloro-MFCD002113255,6-DICHLORO-1H-1,3-BENZIMIDAZOLENSC326397NSC 326397CHEMBL3032525,6-Dichloro-1H-benzoimidazole

Database identifiers

CAS
6478-73-5
PubChem CID
331775
DTXSID
DTXSID40215090
ChEMBL
CHEMBL303252
UNII
62J7FY37SD
EC Number
835-179-1
Nikkaji
J600.387G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Solubility>28.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
205 · 205-206°
Boiling point
426.9 · 426.9±25.0 °C(Predicted)
Density
1.571 · 1.571±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

UsesA benzimidazole derivative as potent inhibitor of milk xanthine oxidase.

Upstream & downstream products

Suppliers66 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]

Related reactions

16 records
New reaction record

Compound notes

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