1-Amino-4-bromo-2-methylanthraquinone
Basic information
- CAS
81-50-5- Standard SMILES
Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
VIQMJMDPUIBXQO-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO2
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 314.98949
Names & identifiers
- Preferred name
- 1-Amino-4-bromo-2-methylanthraquinone
- IUPAC
- 1-amino-4-bromo-2-methylanthracene-9,10-dione
- English name
- 1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE
- Molecular formula
- C15H10BrNO2
- Molecular weight
- 316.15
Names & synonyms
1-Amino-4-bromo-2-methylanthraquinone1-Amino-2-methyl-4-bromoanthraquinoneAnthraquinone, 1-amino-4-bromo-2-methyl-9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-K495LUA00REINECS 201-355-61-Amino-4-bromo-2-methyl-9,10-anthracenedioneNSC 401160NSC-4011604-Bromo-2-methyl-1-anthraquinonylamineDTXSID10588481-Amino-3-bromo-2-methyl-9,10-anthraquinone
Show more names
TIMTEC-BB SBB002955LABOTEST-BB LT000125771-Amino-4-bromo-2-methylanthraquinon1-Amino-4-bromo-2-methylanthraquinone,95%1-Amino-4-bromo-2-methylanthra-9,10-quinone1-amino-4-bromo-2-methyl-10-anthracenedione1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE, 9 9%
1-AMINO-2-METHYL-4-BROMO-9,10-ANTHRAQUINONERefChem:429337DTXCID4048195201-355-681-50-51-amino-4-bromo-2-methylanthracene-9,10-dione1-amino-4-bromo-2-methyl-9,10-dihydroanthracene-9,10-dioneMFCD00001221
Database identifiers
- CAS
81-50-5- PubChem CID
- 66480
- DTXSID
DTXSID1058848- UNII
- K495LUA00R
- EC Number
- 201-355-6
- Nikkaji
- J192.587C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 245 °C · 245 °C (dec.)(lit.)
- form
- solid
- FDA UNII
- 495 LUA00R · K495LUA00R
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4-bromo-2-methyl- (81-50-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29147000 · 29147000
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-: INACTIVE
Applications
Uses1-Amino-4-bromo-2-methylanthraquinone has been used in the synthesis of 4-substituted 1-amino-2-methylanthraquinone derivatives:1-amino-2-methyl-4-phenylaminoanthraquinone1-amino-2-methyl-4-(3-methylphenylamino)anthraquinone1-amino-2-methyl-4-(4-methylphenylamino)anthraquinone1-amino-2-methyl-4-(1-naphthylamino)anthraquinone
Upstream & downstream products
Downstream products
Related reactions
7 records
Compound notes
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