Basic information
- CAS
1886-57-3- Standard SMILES
CC(C)(C)c1ccccc1[N+](=O)[O-]- InChIKey
IWTHGPTVKBEURV-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 1-(1,1-Dimethylethyl)-2-nitrobenzene
- IUPAC
- 1-tert-butyl-2-nitrobenzene
- English name
- 1-tert-Butyl-2-nitrobenzene
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
1886-57-31-tert-Butyl-2-nitrobenzeneDTXSID201722331-(1,1-Dimethylethyl)-2-nitrobenzeneRefChem:1053691DTXCID6094724217-554-61-(tert-Butyl)-2-nitrobenzene2-(Tert-butyl)nitrobenzeneBenzene, 1-(1,1-dimethylethyl)-2-nitro-MFCD000827052-tert-Butyl-1-nitrobenzene
Show more names
o-tert-Butylnitrobenzeneo-Nitro-tert-butylbenzene2-Nitro-tert-butylbenzene1-TERT-BUTYL-2-NITROBENZENE 97%Benzene,1-(1,1-dimethylethyl)-2-nitro-
1-tert-Butyl-2-nitro-benzeneNSC 430392-TERT-BUTYLNITROBENZENE1-Nitro-2-tert-butylbenzeneNSC43039EINECS 217-554-62-t-Butylnitrobenzeneo-nitro-t-butylbenzene
Database identifiers
- CAS
1886-57-3- PubChem CID
- 74674
- DTXSID
DTXSID20172233- EC Number
- 217-554-6
- Nikkaji
- J199.709B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 1 °C · 1°C (estimate)
- Boiling point
- 281.75 °C · 281.75°C (estimate)
- Density
- 1.0699 · 1.0699 (estimate)
- refractive index
- 1.5301 · 1.5301 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2904200090 · 2904200090
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
- hs_code
- 2904200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
天津安浩生物科技有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
赛诺威（厦门）科技有限公司请加微信(同手机号)或QQ询价 13876246362 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
2 records
Compound notes
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