2-Amino-4-(3-nitrophenyl)thiazole

HCID 613504CAS 57493-24-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIKey
CHBDOPARQRNCDM-UHFFFAOYSA-N
Molecular formula
C9H7N3O2S
Average molar mass
221.24 g/mol
Monoisotopic mass
221.02589746

Names & identifiers

Preferred name
2-Amino-4-(3-nitrophenyl)thiazole
IUPAC
4-(3-nitrophenyl)-1,3-thiazol-2-amine
English name
4-(3-Nitro-phenyl)-thiazol-2-ylamine
Molecular formula
C9H7N3O2S
Molecular weight
221.24

Names & synonyms

2-Amino-4-(3-nitrophenyl)thiazoleRefChem:464098637-352-557493-24-04-(3-Nitrophenyl)-1,3-thiazol-2-amine4-(3-nitrophenyl)thiazol-2-amine4-(3-Nitrophenyl)thiazol-2-ylamine4-(3-Nitro-phenyl)-thiazol-2-ylamineMFCD000224554-(3-nitrophenyl)-1,3-thiazole-2-ylamine2-Thiazolamine, 4-(3-nitrophenyl)-4-(m-Nitrophenyl)-2-thiazolamine
Show more names
AURORA 12552AKOS BBS-00004741IFLAB-BB F1912-0042OTAVA-BB BB01085400422-Amino-4-(m-nitrophenyl)thiazole
2-Amino-4-(3-nitrophenyl)-1,3-thiazoleCBMicro_034263Oprea1_834486CBDivE_015244SCHEMBL426369AKOS BC-0568SCHEMBL8124240TOSLAB 566071

Database identifiers

CAS
57493-24-0
PubChem CID
613504
DTXSID
DTXSID60346597
EC Number
637-352-5
Nikkaji
J940.452J

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
189 · 189-191 °C
Boiling point
447.2 · 447.2±28.0 °C(Predicted)
Density
1.459 · 1.459±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
powder to crystal
pka
3.54 · 3.54±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (97.6%)

Safety data

hs_code
2934100090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H319

Chemistry & industry

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海仲因实业有限公司2537653158 16621191650 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]

Related reactions

30 records
New reaction record

Linked notes

Loading…