Basic information
- Standard SMILES
Cc1oc(C(C)(C)C)cc1C(=O)Cl- InChIKey
QWHLGIQXPRQHQN-UHFFFAOYSA-N- Molecular formula
- C10H13ClO2
- Average molar mass
- 200.66 g/mol
- Monoisotopic mass
- 200.06040734
Names & identifiers
- Preferred name
- 5-(Tert-Butyl)-2-Methylfuran-3-Carbonyl Chloride
- IUPAC
- 5-tert-butyl-2-methylfuran-3-carbonyl chloride
- English name
- 5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride
- Molecular formula
- C10H13ClO2
- Molecular weight
- 200.66
Names & synonyms
96543-75-85-(Tert-Butyl)-2-Methylfuran-3-Carbonyl ChlorideDTXSID60384010RefChem:300686DTXCID303350345-tert-butyl-2-methylfuran-3-carbonyl chlorideMFCD002210725-(tert-Butyl)-2-methyl-3-furoyl chloride5-tert-Butyl-2-methyl-3-furoyl chloride3-Furancarbonylchloride, 5-(1,1-dimethylethyl)-2-methyl-5-tert-butyl-2-methyl-furan-3-carbonyl chlorideSCHEMBL573429
Show more names
BUTTPARK 37\08-29TIMTEC-BB SBB0054723-Furancarbonyl chloride, 5-(1,1-dimethylethyl)-2-methyl-3-Furancarbonyl chloride, 5-(1,1-dimethylethyl)-2-methyl- (9CI)5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride, 5-(tert-Butyl)-3-(chlorocarbonyl)-2-methylfuran
QWHLGIQXPRQHQN-UHFFFAOYSA-NSBB005472AKOS0273812722-methyl-5-t-butyl-3-furoyl chlorideFS-5332SB61339DB-057634F017399
Database identifiers
- CAS
96543-75-8- PubChem CID
- 2798494
- DTXSID
DTXSID60384010- EC Number
- 673-110-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 44 · 44-46°C
- CAS DataBase Reference
- 96543 · 96543-75-8(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
- HS Code
- 2932190090 · 2932190090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3261
- hs_code
- 2932190090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [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]
武汉凯威斯科技有限公司027-67849912 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [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]
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]
Related reactions
4 records
Linked notes
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