1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

HCID 22628
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
116-81-4
Standard SMILES
Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O
InChIKey
QZZSAWGVHXXMID-UHFFFAOYSA-N
Molecular formula
C14H8BrNO5S
Average molar mass
382.19 g/mol
Monoisotopic mass
380.93065546

Overview

structure given in first source

Names & identifiers

Preferred name
1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
IUPAC
1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid
English name
Bromaminic acid
Molecular formula
C14H8BrNO5S
Molecular weight
382.19

Names & synonyms

116-81-4Bromamine acidAlizarine Cyanol Grey GSBZ7FUN4BKNSC-75741-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidRefChem:121497204-159-9Bromaminic acid1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-1-Amino-4-Bromoanthraquinone-2-Sulphonic Acid
Show more names
Bromamic acidBRONAMINE ACIDBROMOAMINE ACID1-AMino-4-broMoanBroMaMinic acid, 90+%Bromaminic acid USP/EP/BP1-Amino-4-bromo-2-sulfoanthraquinone
MFCD00035694C14H8BrNO5S1-Amino-4-bromo-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid1-AMINO-4-BROMOANTHRAQUINONE-2-SULFONIC ACID1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acidDTXSID5044782NSC75741-amino-4-bromo-anthraquinone-2-sulphonic acid

Database identifiers

CAS
116-81-4
PubChem CID
22628
DTXSID
DTXSID5044782
ChEMBL
CHEMBL1206406、CHEMBL270415
UNII
SBZ7FUN4BK
EC Number
204-159-9
Nikkaji
J5.283C

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

Experimental & physicochemical properties

Collision Cross Section169.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5044782]

Physicochemical properties

Melting point
280 ℃ · ca 280℃
Density
1.908 · 1.908±0.06 g/cm3(Predicted)
pka
-1.56 · -1.56±0.20(Predicted)
form
powder
color
Red
Odor
Odorless

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 0.9% (1 of 110) of reports.

Warning

H317 (95.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 110 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (95.5%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-: ACTIVE

Applications

Uses1-Amino-4-bromoanthraquinone-2-sulfonic acid (bromamine acid) [CAS: 116-81-4] is the most important intermediate for manufacturing reactive and acid dyes.

UsesBromaminic acid is used as a dye.

Upstream & downstream products

Suppliers100 total

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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