Basic information
- CAS
145080-94-0- Standard SMILES
COC(=O)[C@H](COC(C)(C)C)N=C=O- InChIKey
MMWNVZFZWRLTCL-ZETCQYMHSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- Methyl (S)-(+)-2-Isocyanato-3-tert-butoxypropionate
- IUPAC
- methyl (2S)-2-isocyanato-3-[(2-methylpropan-2-yl)oxy]propanoate
- English name
- (S)-(+)-2-Isocyanato-3-tert-butoxypropionic acid methyl ester
- Molecular formula
- C9H15NO4
- Molecular weight
- 201.22
Names & synonyms
Methyl (S)-(+)-2-Isocyanato-3-tert-butoxypropionateRefChem:812425678-545-4145080-94-0(S)-(+)-2-Isocyanato-3-tert-butoxypropionic Acid Methyl EsterMFCD00191536Methyl (S)-3-(tert-butoxy)-2-isocyanatopropanoatePropanoic acid, 3-(1,1-dimethylethoxy)-2-isocyanato-, methyl ester, (2S)-METHYL (2S)-3-(TERT-BUTOXY)-2-ISOCYANATOPROPANOATEmethyl (2S)-2-isocyanato-3-[(2-methylpropan-2-yl)oxy]propanoateMethyl O-tert-butyl-N-(oxomethylidene)-L-serinateSCHEMBL2736223
Show more names
IsocyanatobutoxypropionicacidmethylesterMethyl (S)-(+)-2-isocyanato-3-tert-butoxypropionoateMethyl(S)-(+)-2-Isocyanato-3-tert-butoxypropionate>(S)-(+)-2-Isocyanato-3-tert-butoxypropionic acid methyl ester(S)-(+)-2-Isocyanato-3-tert-butoxypropionicacidmethylester96+%
DTXSID50427086MMWNVZFZWRLTCL-ZETCQYMHSA-N(S)-(+)-2-ISOCYANATO-3-TERT-BUTOXYPROPIONICACIDMETHYLESTERAKOS015853922AS-73046SY057162I0473methyl (2S)-3-tert-butoxy-2-isocyanato-propanoate
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 260.789 · 260.789±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.06 · 1.06
- refractive index
- 14 ° · 14 ° (C=neat)
- form
- clear liquid
- color
- Colorless to Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2206 · 2206
- HS Code
- 2929.1 · 2929.10.8090
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]
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
- ridadr
- 2206
- hs_code
- 2929.10.8090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H332-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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