2-Benzothiazolamine, 6-bromo-

HCID 85149CAS 15864-32-1
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc2ccc(Br)cc2s1
InChIKey
VZEBSJIOUMDNLY-UHFFFAOYSA-N
Molecular formula
C7H5BrN2S
Average molar mass
229.1 g/mol
Monoisotopic mass
227.93568126

Names & identifiers

Preferred name
2-Benzothiazolamine, 6-bromo-
IUPAC
6-bromo-1,3-benzothiazol-2-amine
English name
2-Amino-6-bromobenzothiazole
Molecular formula
C7H5BrN2S
Molecular weight
229.1

Names & synonyms

2-Amino-6-bromobenzothiazole15864-32-12-Benzothiazolamine, 6-bromo-6-Bromo-2-aminobenzothiazoleBenzothiazole, 2-amino-6-bromo-NSC 270077DTXSID7065960RefChem:465559DTXCID1035101629-076-96-bromo-1,3-benzothiazol-2-amine6-bromobenzo[d]thiazol-2-amine
Show more names
MB-PP1AKOS B000348ART-CHEM-BB B000348IFLAB-BB F1386-03986-bromo-2-benzothiazolamin2-AMINO-6-BROMO BENTHIAZOLE2-AMINO-6-BROMOBENZOTHAZOLE
6-Bromo-benzothiazol-2-ylamine6-Bromobenzothiazol-2-ylamine6-BROMO-2-BENZOTHIAZOLAMINEMFCD001522292-AMINO-6-BROMO BENZOTHIAZOLEMLS003115405(6-Bromobenzothiazol-2-yl)amineNSC-270077

Database identifiers

CAS
15864-32-1
PubChem CID
85149
DTXSID
DTXSID7065960
ChEMBL
CHEMBL98352
UNII
6HV373Y6FE
EC Number
629-076-9
Nikkaji
J182.571B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
213 · 213-217 °C (lit.)
Boiling point
366.8 · 366.8±34.0 °C(Predicted)
Density
1.836 · 1.836±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
soluble in Methanol
pka
3.3 · 3.30±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29342000
risk_code
22-36-43
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 6-bromo-: INACTIVE
Applications · 2 items

Uses2-Amino-6-bromobenzothiazole may be used in the synthesis of the following 2-amino-6-arylbenzothiazole compounds:6-p-tolylbenzo[d]thiazole-2-amine6-(4chlorophenyl)benzo[d]thiazole-2-amine6-(4-methoxyphenyl)benzo[d]thiazole-2-amine 6-(3,5-bis(triflouromethyl)phenyl)benzo[d]thiazole-2-amine6-phenylbenzo[d]thiazole-2-amineIt may be employed as a ligand (L) in the synthesis of organometallic derivatives of Rh(I) [Rh(CO)2(L)(Cl)].

General DescriptionReaction of 4-bromoaniline with acetic acid and potassium thiocynate in solution of bromine in acetic acid yields 2-amino-6-bromobenzothiazole. 2-Amino-6-bromobenzothiazole can also be synthesized from 2-aminobenzothiazole via monobromination with silica-supported quinolinium tribromide.

Upstream & downstream products

Suppliers50 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]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
上海策嵘生物科技有限公司[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

33 records
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Linked notes

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