2,4-Diaminoazobenzene

HCID 10317
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Substructure searchFind similar structures

Basic information

CAS
495-54-5
Standard SMILES
Nc1ccc(N=Nc2ccccc2)c(N)c1
InChIKey
IWRVPXDHSLTIOC-UHFFFAOYSA-N
Molecular formula
C12H12N4
Average molar mass
212.25 g/mol
Monoisotopic mass
212.10619638

Overview

Chrysoidine free base is a member of azobenzenes.

Names & identifiers

Preferred name
2,4-Diaminoazobenzene
IUPAC
4-phenyldiazenylbenzene-1,3-diamine
English name
2,4-DIAMINOAZOBENZENE
Molecular formula
C12H12N4
Molecular weight
212.25

Names & synonyms

2,4-DIAMINOAZOBENZENE495-54-5Solvent Orange 3Chrysoidine Y Base NewAzobenzene-2,4-diamine2,4-Diaminoazobenzenm-Phenylenediamine, 4-(phenylazo)-4-(Phenylazo)-1,3-phenylenediamineNSC 32732,4-Diaminoazobenzen [Czech]Chrysoidine (free base)Chrysoidin A
Show more names
azodianilineAzohelazoanilineC.I.11270:1Oil Orange YFat Brown GGOranz zasadita 2
Chrysoidine (Salt/Mix)C.I. Basic Orange 2 (Salt/Mix)RefChem:82274IWRVPXDHSLTIOC-FOCLMDBBSA-NChrysoidine free baseChrysoidine Y Base1,3-Benzenediamine, 4-(phenylazo)-Chrysoidine Base

Database identifiers

CAS
495-54-5、768311-59-7
PubChem CID
10317
DTXSID
DTXSID4043856
ChEMBL
CHEMBL1623562、CHEMBL1739417
ChEBI
CHEBI:34640
UNII
IP3X2567YP
EC Number
207-803-7
Nikkaji
J1.561J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
76.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesDyes -> Azo Dyes
SpringerMaterials PropertiesDiamagnetic susceptibility
Vapor Pressure0.00000152 [mmHg]
Physical Description · 2 items

Wet Solid

Solid; [Sigma-Aldrich MSDS]

Collision Cross Section149.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0024559]

Physicochemical properties

Melting point
117 · 117~123℃
Boiling point
342.09 °C · 342.09°C (rough estimate)
Density
1.139 · 1.1390
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.5 · 1.5000 (estimate)
solubility
Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.3% (1 of 374) of reports.

Warning

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 4 items

Chemical: 1,3-Benzenediamine, 4-(phenylazo)-

1,3-Benzenediamine, 4-(2-phenyldiazenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediamine, 4-(2-phenyldiazenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 4-(phenylazo)benzene-1,3-diamine (EC: 207-803-7)

1,3-Benzenediamine, 4-(phenylazo)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Chrysoidine base and its salts: Human health tier II assessment
Hazards SummaryA moderate eye irritant; [RTECS] An irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and Categories · 3 items

Acute Tox. 4 (99.7%)

Acute toxicity - category 4

Muta. 2

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS07,GHS08,GHS09
Hazard statements
H302-H315-H340-H410
REACH Registrations
Active
Precautionary statements
P201-P202-P264-P270-P273-P280-P281-P301+P312-P302+P352-P308+P313-P321-P330-P332+P313-P362-P391-P405-P501

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used for dyeing silk and cotton and as a biological stain; [Merck Index]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

U.S. Production2023: 40,280 lb
Industry UsesDye
Household ProductsInformation on 8 consumer products that contain Solvent Orange 3 in the following categories is provided:
General Manufacturing Information · 2 items

Synthetic Dye and Pigment Manufacturing

1,3-Benzenediamine, 4-(2-phenyldiazenyl)-: ACTIVE

Applications

UsesDyeing silk and cotton. Biological stain.

Preparation methods

Preparationaniline diazotization, and Benzene-1,3-diamine coupling.

Upstream & downstream products

Upstream raw materials

Suppliers32 total

苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: Chrysoidine free base is a member of azobenzenes.

Related reactions

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Compound notes

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