Basic information
- Standard SMILES
COC(=O)c1ccsc1N- InChIKey
DGGJQLCAYQCPDD-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S
- Average molar mass
- 157.19 g/mol
- Monoisotopic mass
- 157.01974946
Overview
Methyl 2-aminothiophene-3-carboxylate is a thiophenecarboxylic acid.
Names & identifiers
- Preferred name
- Methyl 2-amino-3-thenoate
- IUPAC
- methyl 2-aminothiophene-3-carboxylate
- English name
- Methyl 2-aminothiophene-3-carboxylate
- Molecular formula
- C6H7NO2S
- Molecular weight
- 157.19
Names & synonyms
Methyl 2-amino-3-thenoateEINECS 225-084-8DTXSID70196863NSC 523742RefChem:813984DTXCID10119354225-084-8methyl 2-aminothiophene-3-carboxylate4651-81-4methyl 2-amino-3-thiophenecarboxylatemethyl2-aminothiophene-3-carboxylateMFCD00159547
Show more names
AKOS 90546METHYL 2-AAKOS B014692BUTTPARK 46\18-81ART-CHEM-BB B014692Methyl-2-amino-3-thenoatMethyl 2-aMinothiophene-3-carbo2-Amino-3-carbomethoxythiophene
Maybridge1_003714NSC523742NSC-5237423-Thiophenecarboxylic acid, 2-amino-, methyl esterC26DR8VS6PSCHEMBL1900882-aminothiophene-3-carboxylic acid methyl ester2-Amino-thiophene-3-carboxylic acid methyl ester
Database identifiers
- CAS
4651-81-4- PubChem CID
- 78381
- DTXSID
DTXSID70196863- ChEBI
CHEBI:194919- UNII
- C26DR8VS6P
- EC Number
- 225-084-8
- Nikkaji
- J297.869E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 76 · 76-81 °C (lit.)
- Boiling point
- 259.5 · 259.5±20.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 0.1 · 0.10±0.10(Predicted)
- color
- Beige
- InChI
- InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3
- InChIKey
- DGGJQLCAYQCPDD-UHFFFAOYSA-N
- SMILES
- C1(N)SC=CC=1C(OC)=O
- CAS DataBase Reference
- 4651 · 4651-81-4(CAS DataBase Reference)
- FDA UNII
- 26 DR8VS6P · C26DR8VS6P
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 43 reports by companies from 6 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
UsesMethyl 2-aminothiophene-3-carboxylate may be used to prepare 3-thiaisatoic anhydride via hydrolysis, followed by the reaction with phosgene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
南京纽安洁化工科技有限公司0515-82159099 13770142076
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
凯方医药科技（上海）有限公司021-67220633 021-54824098 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
扬州冠扬化工科技有限公司+86-514-87325376 +86-514-87180828 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
南京一番化成生物科技有限公司025-025-52700520 18914499889
Additional notes
DefinitionChEBI: Methyl 2-aminothiophene-3-carboxylate is a thiophenecarboxylic acid.
Related reactions
44 records
Linked notes
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