CAS
180695-79-8 Purity
97%
180695-79-8 Purity
97%
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2-Chloro-4-bromobenzothiazole
CAS
182344-57-6
Catalog Number
ACM182344576
Category
Bromine Series
Molecular Weight
248.53
Molecular Formula
C7H3BrClNS
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Specification
Synonyms
4-BROMO-2-CHLOROBENZOTHIAZOLE;2-Chloro-4-bromobenzothiazole
IUPAC Name
4-bromo-2-chloro-1,3-benzothiazole
Canonical SMILES
C1=CC2=C(C(=C1)Br)N=C(S2)Cl
InChI Key
HWPFBBVUHHRYMR-UHFFFAOYSA-N
Boiling Point
309.2ºC at 760 mmHg
Density
1.849 g/cm³
Exact Mass
246.88600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-4-bromobenzothiazole?
The molecular formula is C7H3BrClNS.
What is the molecular weight of 2-Chloro-4-bromobenzothiazole?
The molecular weight is 248.53 g/mol.
What is the IUPAC name of 2-Chloro-4-bromobenzothiazole?
The IUPAC name is 4-bromo-2-chloro-1,3-benzothiazole.
What is the InChI of 2-Chloro-4-bromobenzothiazole?
The InChI is InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H.
What is the InChIKey of 2-Chloro-4-bromobenzothiazole?
The InChIKey is HWPFBBVUHHRYMR-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Chloro-4-bromobenzothiazole?
The canonical SMILES is C1=CC2=C(C(=C1)Br)N=C(S2)Cl.
What is the CAS number of 2-Chloro-4-bromobenzothiazole?
The CAS number is 182344-57-6.
What is the European Community (EC) Number of 2-Chloro-4-bromobenzothiazole?
The European Community (EC) Number is 829-908-2.
What is the DSSTox Substance ID of 2-Chloro-4-bromobenzothiazole?
The DSSTox Substance ID is DTXSID00365949.
Is 2-Chloro-4-bromobenzothiazole a canonicalized compound?
Yes, 2-Chloro-4-bromobenzothiazole is a canonicalized compound.
Upstream Synthesis Route 1
- 608-30-0
- 182344-57-6
Reference: [1] Patent: WO2016/197078, 2016, A1,
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