Basic information
- CAS
59944-65-9- Standard SMILES
Cc1nnsc1C(=O)Cl- InChIKey
SDNDOCTUXWLDIX-UHFFFAOYSA-N- Molecular formula
- C4H3ClN2OS
- Average molar mass
- 162.6 g/mol
- Monoisotopic mass
- 161.9654614
Names & identifiers
- Preferred name
- 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
- IUPAC
- 4-methylthiadiazole-5-carbonyl chloride
- English name
- 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
- Molecular formula
- C4H3ClN2OS
- Molecular weight
- 162.6
Names & synonyms
4-methyl-1,2,3-thiadiazole-5-carbonyl chloride59944-65-9DTXSID60371743RefChem:294051DTXCID20322776640-801-84-methylthiadiazole-5-carbonyl chlorideMFCD001738314-methyl-[1,2,3]thiadiazole-5-carbonyl chloride5-Chlorocarbonyl-4-methyl-1,2,3-thiadiazole4-Methyl-1,2,3-Thiadiazole-5-CarbonylChloride1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl-
Show more names
BUTTPARK 30\06-42TIMTEC-BB SBB0054664-methyl-5-thiadiazolecarbonyl chloride5-(Chlorocarbonyl)-4-methyl-1,2,3-thiadiazole4-METHYL-1,2,3-THIADIAZOL-5-CARBONYL CHLORIDE4-METHYL-1,2,3-THIODIAZOLE-5-CARBONYL CHLORIDE1,2,3-Thiadiazole-5-carbonyl chloride, 4-methyl-4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride 90%
SCHEMBL9246854-methyl-1,2,3-thiadiazole-5-carboxylic acid chlorideSDNDOCTUXWLDIX-UHFFFAOYSA-NSBB005466AKOS005168338SY109571EN300-231932F017318
Database identifiers
- CAS
59944-65-9- PubChem CID
- 2736982
- DTXSID
DTXSID60371743- EC Number
- 640-801-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 104 °C · 104 °C
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- -5.29 · -5.29±0.32(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 271 · P271-P280-P309+P311
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- HS Code
- 2934999090 · 2934999090
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P271-P280-P309+P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [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]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [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]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [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 17714375163 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
青州达丰进出口有限公司16773308882 · [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]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
2 records
Compound notes
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