CAS 95-24-9 6-Chloro-2-benzothiazolamine (HCID 7226)

Names & identifiers

Preferred name: 6-Chloro-2-benzothiazolamine
IUPAC: 6-chloro-1,3-benzothiazol-2-amine
English name: 2-Amino-6-chlorobenzothiazole
Molecular formula: C7H5ClN2S
Molecular weight: 184.65

Names & synonyms

2-Amino-6-chlorobenzothiazole95-24-96-Chlorobenzothiazol-2-ylamine6-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-chloro-6-chlorobenzo[d]thiazol-2-amine6-Chloro-2-benzothiazolamine2-Amino-6-chloro-1,3-benzothiazoleBENZOTHIAZOLE, 2-AMINO-6-CHLORO-EINECS 202-402-36-chloro-2-aminobenzothiazoleBRN 0127752

Show more names

TIMTEC-BB SBB000249IFLAB-BB F1386-0399LABOTEST-BB LT000125886-chloro-2-benzothiazolamin6-Chlorobenzothiazol-2-amine2-amino-6-chloro-benzothiazol

2U337T5UFG6-chloro-1,3-benzothiazol-2-ylamineDTXSID40591204-27-00-04862 (Beilstein Handbook Reference)6-CHLORO-2-BENZOTHIAZOLYLAMINE6-CHLOROBENZO(D)THIAZOL-2-AMINERefChem:541509DTXCID7048950

Database identifiers

CAS: 95-24-9
PubChem CID: 7226
DTXSID: DTXSID4059120
ChEMBL: CHEMBL97643
UNII: 2U337T5UFG
EC Number: 202-402-3
Nikkaji: J37.322B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 199 · 199-201 °C (lit.)
Boiling point: 344.3 · 344.3±34.0 °C(Predicted)
Density: 1.475 · 1.4750 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: Crystalline Powder
pka: 3.3 · 3.30±0.10(Predicted)
color: Off-white to light beige
InChI: 1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N
SMILES: Nc1nc2ccc(Cl)cc2s1
CAS DataBase Reference: 95 · 95-24-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 U337T5UFG · 2U337T5UFG
NIST Chemistry Reference: 2 · 2-Amino-6-chlorobenzothiazole(95-24-9)
EPA Substance Registry System: 2 · 2-Benzothiazolamine, 6-chloro- (95-24-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
RTECS: 1575000 · DL1575000
Hazard Note: Harmful/Irritant
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Benzothiazolamine, 6-chloro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: DL1575000
hs_code: 29349990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Harmful/Irritant
safety_code: 26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 6-chloro-: INACTIVE

Applications · 2 items

Uses2-amino-6-chloro-benzothiazole on microwave irradiation in the presence of 1-butyl-3-methylimidazolium and inorganic anions yields fluorinated benzothiazolo[2,3-b]quinazoline-2H-ones analogues. It has synergistic effect on inhibitive performance of propargyl alcohol during corrosion of mild steel in boiling HCl solution.

General Description2-amino-6-chloro-benzothiazole on microwave irradiation in the presence of 1-butyl-3-methylimidazolium and inorganic anions yields fluorinated benzothiazolo[2,3-b]quinazoline-2H-ones analogues. It has synergistic effect on inhibitive performance of propargyl alcohol during corrosion of mild steel in boiling HCl solution.

Upstream & downstream products

Upstream raw materials

Downstream products

7-Chloro-2H-1,4-benzothiazin-3(4H)-one C.I. Disperse Red 206 press cake 2-(1,4-dioxan-2-yl)-6-chlorobenzothiazole 2-Chloro-N-(6-chloro-benzothiazol-2-yl)-acetamide 1,5-Benzothiazepin-4(5H)-one, 8-chloro-2,3-dihydro-1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine 4-bromo-6-chlorobenzo[d]thiazol-2-amine

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

上海策嵘生物科技有限公司[email protected]

Related reactions

41 records

New reaction record

HRID 9098As reactantuspto-grants-2006_08

HRID 191684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 223387As reactantuspto-grants-1982_10

HRID 250002As reactantuspto-grants-2011_01

HRID 382871As reactantuspto-grants-2001_10

HRID 410747As reactantuspto-grants-2014_06

HRID 410918As reactantuspto-grants-2014_06

HRID 411005As reactantuspto-grants-2014_06

Compound notes

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Basic information