CAS 2010-06-2 2-Amino-4-phenylthiazole (HCID 40302)

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 2-Amino-4-phenylthiazole
IUPAC: 4-phenyl-1,3-thiazol-2-amine
English name: 2-Amino-4-phenylthiazole
Molecular formula: C9H8N2S
Molecular weight: 176.24

Names & synonyms

2-AMINO-4-PHENYLTHIAZOLE2010-06-2Phenthiazamine2-Thiazolamine, 4-phenyl-Thiazole, 2-amino-4-phenyl-WF2822RIUSNSC-2528J37.311GDTXSID4043804RefChem:861536DTXCID2023804217-926-8

Show more names

AURORA 5314TOSLAB 3052AKOS BC-0800AKOS B000316ASISCHEM T31190BUTTPARK 41\09-31AKOS BBS-00004476WLN: T5N CSJ BZ ER

4-Phenylthiazol-2-amine4-Phenyl-1,3-thiazol-2-amine4-Phenyl-2-thiazolamineMFCD000396802-Amino-4-phenyl-1,3-thiazole4-Phenyl-2-thiazolylamine4-Phenyl-2-aminothiazole4-phenyl-1,3-thiazole-2-ylamine

Database identifiers

CAS: 2010-06-2、52253-69-7
PubChem CID: 40302
DTXSID: DTXSID4043804
ChEMBL: CHEMBL175296
UNII: WF2822RIUS
EC Number: 217-926-8
Nikkaji: J37.311G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Experimental & physicochemical properties

LogP2.43

Physicochemical properties

Melting point: 149 · 149-153 °C (lit.)
Boiling point: 363.4 · 363.4±11.0 °C(Predicted)
Density: 1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 12 mg/ml; Ethanol:PBS (pH 7.2) (1:10): 0.1 mg/ml
pka: 4.33 · 4.33±0.10(Predicted)
form: Crystalline Solid
color: White to yellow to pale orange
λmax: 284 nm · 284nm(EtOH)(lit.)
BRN: 128609 · 128609
InChI: 1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKey: PYSJLPAOBIGQPK-UHFFFAOYSA-N
SMILES: Nc1nc(cs1)-c2ccccc2
CAS DataBase Reference: 2010 · 2010-06-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2822 RIUS · WF2822RIUS
NIST Chemistry Reference: 2 · 2-Thiazolamine, 4-phenyl-(2010-06-2)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS06,GHS07
Signal word: Danger
Hazard statements: 319 · H319-H301-H315-H318-H335
Precautionary statements: 301 · P301+P310a-P321-P501a-P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280-P301+P310-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi,T
Risk Statements: 22 · 22-37/38-41-25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
RTECS: 2878000 · XJ2878000
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29341000 · 29341000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Toxicity: 50 · mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00815,

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: XJ2878000
ridadr: UN 2811 6.1 / PGIII
hs_code: 29341000
Toxicity: mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00815,
risk_code: 22-37/38-41-25
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS07
hazard_code: Xn,Xi,T
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H319-H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310a-P321-P501a-P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280-P301+P310-P305+P351+P338

Chemistry & industry

Applications

Description2-amino-4-phenyl Thiazole is a synthetic intermediate useful for pharmaceutical synthesis.

Uses4-Phenyl-2-thiazolamine was used to prepare suberoylanilide hydroxamic acid (SAHA) analogs with cancer cell growth inhibitory activities. It was also used to synthesize ketone histone deacetylase inhibitors with antitumor activity in vivo.