Basic information
- CAS
61535-21-5- Standard SMILES
Cc1cccc(OCc2ccccc2)c1[N+](=O)[O-]- InChIKey
ZUMJNYJMXBJJIC-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 1-Benzyloxy-3-methyl-2-nitrobenzene
- IUPAC
- 1-methyl-2-nitro-3-phenylmethoxybenzene
- English name
- 1-Benzyloxy-3-methyl-2-nitrobenzene 98
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
1-Benzyloxy-3-methyl-2-nitrobenzene61535-21-5DTXSID40391646RefChem:228162DTXCID903425071-(benzyloxy)-3-methyl-2-nitrobenzene1-methyl-2-nitro-3-phenylmethoxybenzene1-BENZYLOXY-3-METHYL-2-NITROBENZENE 98MFCD002725563-benzyloxy-2-nitrotolueneSCHEMBL6478661-benzyloxy-3-methyl-2-nitro-benzene
Show more names
1-Benzyloxy-3-methyl-2-nitrobenzene 98Benzene, 1-Methyl-2-nitro-3-(phenylMethoxy)-
AKOS015889072AKOS015920435AC-24623AS-363471-Benzyloxy-3-methyl-2-nitrobenzene, 98%DB-024506Benzene,1-methyl-2-nitro-3-(phenylmethoxy)CS-0153681
Database identifiers
- CAS
61535-21-5- PubChem CID
- 3344187
- DTXSID
DTXSID40391646- Nikkaji
- J2.857.178J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 36 °C · 36 °C
- Boiling point
- 150 °C/1.5 · 150 °C/1.5 mmHg (lit.)
- Density
- 1.738 g/mL · 1.738 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5765(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- 1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
- InChIKey
- ZUMJNYJMXBJJIC-UHFFFAOYSA-N
- SMILES
- Cc1cccc(OCc2ccccc2)c1[N+]([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-Benzyloxy-3-methyl-2-nitrobenzene may be used in the multi-step preparation of 7-hydroxy-oxindole-3-acetic acid.
General Description1-Benzyloxy-3-methyl-2-nitrobenzene is a substituted nitrobenzene.
Upstream & downstream products
Downstream products
Suppliers48 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
8 records
Compound notes
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