Ethyl 2-amino-4-methylthiophene-3-carboxylate (HCID 521132)

Names & identifiers

Preferred name: Ethyl 2-amino-4-methylthiophene-3-carboxylate
IUPAC: ethyl 2-amino-4-methylthiophene-3-carboxylate
English name: ETHYL 2-AMINO-4-METHYLTHIOPHENE-3-CARBOXYLATE
Molecular formula: C8H11NO2S
Molecular weight: 185.24

Names & synonyms

Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2DTXSID00334559RefChem:138567DTXCID10285649674-825-5ILYCZKOBLRJJSW-UHFFFAOYSA-NMFCD000516693-Thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl esterEthyl 2-amino-4-methyl-3-thiophenecarboxylate2-Amino-4-methylthiophene-3-carboxylic acid ethyl ester2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

Show more names

2-aMino-4-Methylthiophene-3-carboxylatemethyl 2-amino-4-methylthiophene-3-carboxylateBUTTPARK 29\08-492-Amino-3-(ethoxycarbonyl)-4-methylthiophenethyl 2-amino-4-methylthiophene-3-carboxylateEethyl 2-amino-4-methylthiophene-3-carboxylate2-aMino-5-ethyl-4-Methylthiophene-3-carboxylateEthyl 2-Amino-4-methylthiophene-3-carboxylate >

ethyl2-amino-4-methylthiophene-3-carboxylateEthyl 2-amino-4-methyl-thiophene-3-carboxylateMaybridge1_003755SCHEMBL162443orb3031356HMS552C15Fr12526ALBB-012629

Database identifiers

CAS: 43088-42-2
PubChem CID: 521132
DTXSID: DTXSID00334559
EC Number: 674-825-5
Nikkaji: J3.432.869B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 80 °C · 80 °C
Boiling point: 279 ℃ · 279℃
Density: 1.219 · 1.219
Flash point: 123 ℃ · 123℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Water Solubility: Soluble in water
form: powder to crystal
pka: 0.24 · 0.24±0.10(Predicted)
color: Light yellow to Yellow to Orange
BRN: 1366073 · 1366073
InChI: InChI=1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3
InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N
SMILES: C1(N)SC=C(C)C=1C(OCC)=O
CAS DataBase Reference: 43088 · 43088-42-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (50%)

Safety data

hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313