4,4'-Diaminobenzanilide

HCID 69917
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Basic information

CAS
785-30-8
Standard SMILES
Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIKey
XPAQFJJCWGSXGJ-UHFFFAOYSA-N
Molecular formula
C13H13N3O
Average molar mass
227.26 g/mol
Monoisotopic mass
227.10586204

Overview

not carcinogenic

Names & identifiers

Preferred name
4,4'-Diaminobenzanilide
IUPAC
4-amino-N-(4-aminophenyl)benzamide
English name
4,4'-Diaminobenzanilide
Molecular formula
C13H13N3O
Molecular weight
227.26

Names & synonyms

4,4'-Diaminobenzanilide785-30-8Benzamide, 4-amino-N-(4-aminophenyl)-4-Aminobenzoyl-4'-aminoanilidep,p'-DiaminobenzanilideBenzanilide, 4,4'-diamino-00X4JM89UHDTXSID4020400DTXCID40400NSC-37092RefChem:96225212-321-5
Show more names
DABA4,4'-DabaDiaminoben4,4 DIAMINO BENZANILIDE4,4’-diaminobenzanllide4,42-DiaminobenzanilideDIAMINOBENZANILIDE(4,4'-)
4-Amino-N-(4-aminophenyl)benzamide4,4-DiaminobenzanilideUNII-00X4JM89UHBenzanilide,4'-diamino-MFCD00025361Oprea1_6971674,4'-Diaminobenzanilide, 98%4,4'-Diaminobenzanilide (DABA)

Database identifiers

CAS
785-30-8
PubChem CID
69917
DTXSID
DTXSID4020400
ChEMBL
CHEMBL350416
UNII
00X4JM89UH
EC Number
212-321-5
Nikkaji
J7.093I

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
81.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Melting point
205 · 205-207 °C(lit.)
Boiling point
384 · 384.0±27.0 °C(Predicted)
Density
1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Water Solubility
Practically insoluble in water
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 14.8% (8 of 54) of reports.

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23568

Benzamide, 4-amino-N-(4-aminophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29214200
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 4-amino-N-(4-aminophenyl)-: ACTIVE
Applications · 1 item

Uses4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.

Upstream & downstream products

Suppliers100 total

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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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