Basic information
- CAS
34272-65-6- Standard SMILES
Cc1nc(C)c(CC(=O)O)s1- InChIKey
VVEIGFCSKPLKGZ-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.0353997
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 2,4-dimethyl-
- IUPAC
- 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid
- English name
- (2,4-DIMETHYL-THIAZOL-5-YL)-ACETIC ACID
- Molecular formula
- C7H9NO2S
- Molecular weight
- 171.22
Names & synonyms
34272-65-65-Thiazoleacetic acid, 2,4-dimethyl-2,4-Dimethyl-5-thiazoleacetic acidBRN 0135369DTXSID701878374-27-00-04024 (Beilstein Handbook Reference)RefChem:103451DTXCID30110328VVEIGFCSKPLKGZ-UHFFFAOYSA-N(2,4-Dimethyl-thiazol-5-yl)-acetic acid2-(2,4-Dimethylthiazol-5-yl)acetic acid2-(DIMETHYL-1,3-THIAZOL-5-YL)ACETIC ACID
Show more names
AKOS BBS-00002884CHEMBRDG-BB 4402640ASINEX-REAG BAS 077216392,4-dimethyl-5-thiazoleaceticaci2,4-DIMETHYLTHIAZOLE-5-ACETIC ACID2-(2,4-dimethyl-5-thiazolyl)acetic acid
(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acidMFCD01681584F3099-7071SCHEMBL873381SMSSF-0535962ALBB-036696SBB027445
Database identifiers
- CAS
34272-65-6- PubChem CID
- 214799
- DTXSID
DTXSID70187837- EC Number
- 800-134-7
- Nikkaji
- J59.589F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 320.5 · 320.5±27.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.62 · 3.62±0.10(Predicted)
- Appearance
- light yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): 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 2 reports by companies from 2 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 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
Safety data
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers20 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
福州福康医药科技有限公司18150835816
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海智乾生物科技有限公司[email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
Loading…