Basic information
- CAS
20412-38-8- Standard SMILES
CC(C)(C)COC(=O)Cl- InChIKey
JUUBFHLPTCPVBO-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0447573
Names & identifiers
- Preferred name
- 2,2-Dimethylpropyl carbonochloridate
- IUPAC
- 2,2-dimethylpropyl carbonochloridate
- English name
- 2,2-DIMETHYLPROPYL CHLOROFORMATE
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
2,2-dimethylpropyl carbonochloridateRefChem:441467627-640-9Neopentyl chloroformate20412-38-82,2-Dimethylpropyl chloroformate2,2-DimethylpropylchloroformateCarbonochloridic acid, 2,2-dimethylpropyl esterCTK4E4155Carbonochloridic acid,2,2-dimethylpropyl ester2,2-Dimethylpropyl chlorocarbonateNeopentylchloroformate
Show more names
Phenolphthalein Impurity 1Neopentyl chloroforMate 97%CHLORAMEISENSAEURE-(2,2-DIMETHYLPROPYLES
neopentyl chlorocarbonateneopentyl carbonochloridateNeopentyl chloroformate, 97%SCHEMBL184188DTXSID403917072,2-dimethylpropyl carbonchloridateAKOS015912472AS-80600
Database identifiers
- CAS
20412-38-8- PubChem CID
- 3352185
- DTXSID
DTXSID40391707- EC Number
- 627-640-9
- Nikkaji
- J93.620K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 55 °C36 · 55 °C36 mm Hg(lit.)
- Density
- 1.003 g/mL · 1.003 g/mL at 25 °C(lit.)
- vapor pressure
- 0.65 psi · −0.65 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.410(lit.)
- Flash point
- 32 °C · 32 °C
- storage temp.
- 2 · 2-8°C
- BRN
- 506655 · 506655
- InChI
- 1S/C6H11ClO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3
- InChIKey
- JUUBFHLPTCPVBO-UHFFFAOYSA-N
- SMILES
- CC(C)(C)COC(Cl)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H331
- Precautionary statements
- 210 · P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Safety & regulation
Safety data
- F
- 10-19
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2742 6.1/PG 2
- risk_code
- 10-23-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- T
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 6.1, 3, 8
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H314-H331
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 3 InhalationEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
UsesNeopentyl chloroformate was used in the preparation of mixture of 11,12-dimethyltetradecanoic acid and 11-ethyl-12-methyltridecanoic acid.
General DescriptionNeopentyl chloroformate, a branched primary alkyl chloroformate, is a useful protecting agent during peptide synthesis.
Suppliers12 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
54 records
Compound notes
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