2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)

HCID 73228

Notes Reactions

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Basic information

CAS: 59608-97-8
Standard SMILES: Cl.Nc1nc(CCl)cs1
InChIKey: NMAKJOWVEDTHOA-UHFFFAOYSA-N
Molecular formula: C4H6Cl2N2S
Average molar mass: 185.07 g/mol
Monoisotopic mass: 183.96287455

Names & identifiers

Preferred name: 2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
IUPAC: 4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride
English name: 2-Amino-4-chloromethythiazole hydrochloride
Molecular formula: C4H6Cl2N2S
Molecular weight: 185.07

Names & synonyms

59608-97-82-Thiazolamine, 4-(chloromethyl)-, monohydrochlorideNSC 56821DTXSID00693392-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)RefChem:89437DTXCID60426524-(Chloromethyl)thiazol-2-amine hydrochloride2-Amino-4-(chloromethyl)thiazole hydrochloride2-Amino-4-chloromethythiazole hydrochloride4-Chloromethyl-thiazol-2-ylamine hydrochlorideMFCD00035215

Show more names

2-thiazolamine, 4-(chloromethyl)-2-AMino-4-chloroMethythiazole, HCl2-AMINO-4-(CHLOROMETHYL)THIAZOLE HCI2-ThiazolaMine,4-(chloroMethyl)-, hydrochloride2-Amino-4-(chloromethyl)-1,3-thiazole hydrochloride

4-(chloromethyl)-1,3-thiazol-2-amine hydrochloride60090-58-62-Thiazolamine, 4-(chloromethyl)-, hydrochloride4-(chloromethyl)-1,3-thiazol-2-amine;hydrochloride2-AMINO-4-(CHLOROMETHYL)THIAZOLE HCL2-amino-4-chloromethyl thiazoleNSC56821SCHEMBL68621

Database identifiers

CAS: 59608-97-8、60090-58-6
PubChem CID: 73228
DTXSID: DTXSID0069339
EC Number: 690-456-2

Properties

Computed structural properties

Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 80.4

Physicochemical properties

Melting point: 141 · 141-143 °C(Solv: ethanol (64-17-5))
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
Appearance: White to off-white Solid
InChI: 1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H
InChIKey: NMAKJOWVEDTHOA-UHFFFAOYSA-N
SMILES: NC1=NC(CCl)=CS1.Cl
CAS DataBase Reference: 59608 · 59608-97-8(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Thiazolamine, 4-(chloromethyl)-, monohydrochloride (59608-97-8)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 (50%)

Safety data

wgk: WGK 3
tsca: TSCA listed
hs_code: 2934100090
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H317-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1): INACTIVE

Applications

Uses2-Amino-4-chloromethyl thiazole hydrochloride is an α-thiophene derivative, which is widely used in synthetic medicines, pesticides, dyes, chemical reagents, polymer additives, etc.