Basic information
- CAS
350997-12-5- Standard SMILES
COC(=O)c1c(-c2ccc(F)cc2)csc1N- InChIKey
DZCBSOKWTGUFCJ-UHFFFAOYSA-N- Molecular formula
- C12H10FNO2S
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.0416279
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylate
- IUPAC
- methyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
- English name
- METHYL 2-AMINO-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE
- Molecular formula
- C12H10FNO2S
- Molecular weight
- 251.28
Names & synonyms
methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylateRefChem:814004methyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate350997-12-5MFCD01827715F9995-0393SCHEMBL8288639DTXSID10351878ALBB-0016772-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl esterBBL016622SBB038691
Show more names
ZINC00105287A3001/0126411AKOS BBS-00000915CHEMBRDG-BB 30007672-Amino-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester2-AMINO-4-(4-FLUORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-(4-FLUOROPHENYL)-, METHYL ESTERmethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate(SALTDATA: FREE)
STK424908AKOS000266923SB66992VS-05418DB-029285ST4082248EN300-08786H21614
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 143 · 143-148°C
- Boiling point
- 376.9 · 376.9±42.0 °C(Predicted)
- Density
- 1.332 · 1.332
- storage temp.
- 2 · 2-8°C
- pka
- -0.2 · -0.20±0.14(Predicted)
- CAS DataBase Reference
- 350997 · 350997-12-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers12 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…