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3,3′-Dinitrobenzidine

3,3′-Dinitrobenzidine structure

CAS No:
6271-79-0
Formula:
C12H10N4O4
Chemical Name:
3,3′-Dinitrobenzidine
Synonyms:
[1,1′-Biphenyl]-4,4′-diamine,3,3′-dinitro-;Benzidine,3,3′-dinitro-;3,3′-Dinitro[1,1′-biphenyl]-4,4′-diamine;3,3′-Dinitrobenzidine;NSC 37067;3,3′-Dinitro-1,1′-biphenyl-4,4′-diamine;152243-19-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Brown Oily Solid

Used for preparation of symmetrical bis-benzimidazole derivatives for inhibition of gastric acid secretion.

3,3′-Dinitrobenzidine Basic Attributes

Molecular Weight：

274.236

Exact Mass：

274.23

EC Number：

228-457-3

UNII：

7M226SQ8G9

NSC Number：

37067

DSSTox ID：

DTXSID8036861

HScode：

2921590090

Characteristics

PSA：

144

XLogP3：

4.54320

Appearance：

Brown Oily Solid

Density：

1.498g/cm3

Melting Point：

>300 °C (sublm) @ Solvent: Ethanol

Boiling Point：

497.4ºC at 760 mmHg

Flash Point：

254.6ºC

Refractive Index：

1.721

Water Solubility：

0.2 [ug/mL]

Storage Conditions：

Refrigerator

Safety Information

hazard class code：

R20/21/22

safety instructions：

22-36/37/39

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	Mutation in microorganisms		50 umol	--	Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 319,19,1993
MUTATION DATA	Mutation test systems - not otherwise specified	Intraperitoneal	100 mg/kg	--	Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 319,19,1993
MUTATION DATA	Cytogenetic analysis	Intraperitoneal	100 mg/kg	--	Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 319,19,1993

3,3′-Dinitrobenzidine Use and Manufacturing

3,3'-Dinitrobenzidine is used for preparation of symmetrical bis-benzimidazole derivatives for inhibition of gastric acid secretion.

Computed Properties

Molecular Weight:274.23
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:274.07020481
Monoisotopic Mass:274.07020481
Topological Polar Surface Area:144
Heavy Atom Count:20
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

6378-90-1