Basic information
- CAS
880-93-3- Standard SMILES
Cc1ccc([N+](=O)[O-])c2ccccc12- InChIKey
FRLVKAJKOYFHKQ-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 4-Methyl-1-nitronaphthalene
- IUPAC
- 1-methyl-4-nitronaphthalene
- English name
- 1-Methyl-4-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
1-Methyl-4-nitronaphthaleneNaphthalene, 1-methyl-4-nitro-4-Methyl-1-nitronaphthaleneCCRIS 77594-nitro-1-methylnaphthaleneN6ISD90391NSC-144478UNII-N6ISD90391DTXSID10236757NSC 144478RefChem:99706DTXCID40159248
Show more names
acetic acid hex-1-en-3-yl ester1-Methyl-4-nitronaphthalene in methanol
880-93-3Naphthalene,1-methyl-4-nitro-MFCD009718041-Methyl-4-nitro-naphthaleneNSC1444784-Methyl-nitronaphthalene1-Methyl-4-nitronaphthalinSCHEMBL98882
Database identifiers
- CAS
880-93-3- PubChem CID
- 70155
- DTXSID
DTXSID10236757- UNII
- N6ISD90391
- Nikkaji
- J351.231B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 71.5 °C · 71.5°C
- Boiling point
- 321.94 °C · 321.94°C (rough estimate)
- Density
- 1.1963 · 1.1963 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- Henry's Law Constant
- 7.7 · 7.7×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- FDA UNII
- 6 ISD90391 · N6ISD90391
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340
- HS Code
- 2904200090 · 2904200090
Safety & regulation
Safety data
- hs_code
- 2904200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340
Chemistry & industry
Applications
Uses1-Methyl-4-nitronaphthalene is used in preparation of S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase.
Upstream & downstream products
Downstream products
Suppliers25 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
成都信立诺医药科技有限公司+86-0838-2319818 +86-15982001943 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
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Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海依化化学有限公司021-6785342 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
3 records
Compound notes
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