Basic information
- CAS
5421-66-9- Standard SMILES
Cc1cc(N=Nc2ccc(C)c(N=Nc3cc(C)c(N)cc3N)c2)c(N)cc1N.Cl.Cl- InChIKey
WLKAMFOFXYCYDK-UHFFFAOYSA-N- Molecular formula
- C21H24N8.2ClH
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 460.1657483
Names & identifiers
- Preferred name
- Basic Brown 4
- IUPAC
- 4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride
- English name
- BISMARCK BROWN R
- Molecular formula
- C21H25ClN8
- Molecular weight
- 424.94
Names & synonyms
Bismarck Brown RBismark Brown RBasic Brown 4Astra Vesuvine BBasic Brown 2KC.I. 21010C.I. BASIC BROWN 42,4-Bis(2,4-diamino-5-methyl-1-benzenazo)toluene1HAD3F3XM9VesuvineNSC 7812LOWACRYL BROWN 4
Show more names
CI 21010CI NO 21010BasicbrownRbismarkbrownrVESUVINE BROWNabcolbrownrconcBasic Yellow Brown 4BRBasic Brown 4, Vesuvin
EINECS 226-541-4BISMARK BROWN 53C.I. Basic Brown 4, dihydrochlorideBISMARK BROWN R [MI]AI3-52759NSC-78128005-78-5Bismarck Brown TSS
Database identifiers
- CAS
5421-66-9、8005-78-5、8052-76-4- PubChem CID
- 79459
- DTXSID
DTXSID5063861- UNII
- 1HAD3F3XM9
- EC Number
- 226-541-4、232-341-8
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 581
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Melting point
- 222 °C · 222 °C (dec.)(lit.)
- form
- Powder
- Colour Index
- 21010 · 21010
- color
- Brown to Black
- Odor
- Odorless
- Water Solubility
- Soluble in water
- BRN
- 1829673 · 1829673
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 1 HAD3F3XM9 · 1HAD3F3XM9
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl-, dihydrochloride (5421-66-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P264, P280, P302+P352, P317, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl-, dihydrochloride
Chemical: C.I. Basic Brown 4
C.I. Basic Brown 4: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment
IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (33.3%)
Carcinogenicity - category 2
Carcinogenicity - category 2
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(2,1-diazenediyl)]bis[6-methyl-, hydrochloride (1:2): ACTIVE
Applications
UsesBismarck Brown R is used as an adsorbate and is used in dye decoloration experiment. Dyes and metabolites.
Preparation methods
Preparationbased in 2 Moore’s deal with 3 Moore’s diazo, and 4-Methylbenzene-1,3-diamine hydrochloride (this product in the above may double the azo dyes as the main component of the mixture).
Upstream & downstream products
Upstream raw materials
Suppliers68 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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