Basic information
- CAS
33763-20-1- Standard SMILES
Cc1nc(-c2ccccc2)sc1C(=O)O- InChIKey
CRSMRBYEBHOYRM-UHFFFAOYSA-N- Molecular formula
- C11H9NO2S
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.03539953
Names & identifiers
- Preferred name
- 4-Methyl-2-phenyl-thiazole-5-carboxylic acid
- IUPAC
- 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
- English name
- 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
- Molecular formula
- C11H9NO2S
- Molecular weight
- 219.26
Names & synonyms
4-Methyl-2-phenyl-thiazole-5-carboxylic acidRefChem:525155692-250-833763-20-14-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid4-Methyl-2-phenylthiazole-5-carboxylic acid5-thiazolecarboxylic acid, 4-methyl-2-phenyl-MFCD001419554-methyl-2-phenyl-5-thiazolecarboxylic acid2-phenyl-4-methylthiazole-5-carboxylic acid5-Carboxy-2-phenylthiazoleMLS000716165
Show more names
AKOS BBS-00004452IFLAB-BB F1912-00274-methyl-2-phenyl-5-thiazolecarboxylate4-Methyl-2-phenyl-5-thiazolecarboxylicacid2-Phenyl-4-methyl-5-thiazolecarboxylic acid4-Methyl-2-phenylthiazole-5-carboxylicacid,97%
orb3030815SCHEMBL1327631CHEMBL1374129HMS566O09DTXSID70352189CRSMRBYEBHOYRM-UHFFFAOYSA-NHMS2644L21Fr13329
Database identifiers
- CAS
33763-20-1- PubChem CID
- 720957
- DTXSID
DTXSID70352189- ChEMBL
CHEMBL1374129- EC Number
- 692-250-8
- Nikkaji
- J2.839.202H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 210 · 210-212°C
- Boiling point
- 424 · 424.0±37.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.2 · 1.20±0.37(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 33763 · 33763-20-1(CAS DataBase Reference)
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
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
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic Acid is a useful reagent in Pd-catalyzed decarboxylative C-H cross-coupling of oxazoles and thiazoles.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [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]
南京皇泰医药科技有限公司025-58803135 18551845925 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
上海相辉医药科技有限公司[email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
福州福康医药科技有限公司18150835816
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Related reactions
6 records
Compound notes
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