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Basic information
- CAS
118200-96-7- Standard SMILES
C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1- InChIKey
PUBTVFBOTFDPTA-LLVKDONJSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.211 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Oxiranemethanol, 2-methyl-, 4-nitrobenzoate, (2S)-
- IUPAC
- [(2S)-2-Methyloxiran-2-yl]methyl 4-nitrobenzoate
- English name
- (2S)-(+)-2-METHYLGLYCIDYL 4-NITROBENZOATE
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
(2S)-(+)-2-METHYLGLYCIDYL 4-NITROBENZOATE2-methyloxiranemethanol4-nitrobenzoate(2s)-(2S)-(+)-2-Methylglycidyl 4-nitrobenzoate 98%2-methyl-,4-nitrobenzoate,(2s)-oxiranemethano(2S)-2-methyloxiran-2-yl]methyl4-nitrobenzoate(s)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate(2S)-(+)-2-Methylglycidyl 4-nitrobenzoate2-Oxiranemethanol, 2-methyl-, 2-(4-nitrobenzoate), (2S)-(2s)-(+)-(2,3-epoxy-2-methylpropylester)-4-nitrobenzoate
Database identifiers
- CAS
118200-96-7- PubChem CID
- 147239
- DTXSID
DTXSID60152039- EC Number
- 623-956-6
- Nikkaji
- J471.956E
Properties
Physicochemical properties
- Melting point
- 87 · 87-89 °C (lit.)
- Boiling point
- 379.74 °C · 379.74°C (rough estimate)
- Density
- 1.335 · 1.3350 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- solid
- optical activity
- 19 · [α]19/D +5.9°, c = 2.4 in chloroform
- InChI
- 1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m1/s1
- InChIKey
- PUBTVFBOTFDPTA-LLVKDONJSA-N
- SMILES
- C[C@@]2(COC(=O)c1ccc(cc1)[N+]([O-])=O)CO2
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 510320 · RR0510320
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- RR0510320
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers9 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
重庆卡兰医药有限公司[email protected]
杭州华浙生物医药有限公司0571-5683-8096 17302275155 · [email protected]
Related reactions
2 records
Compound notes
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