Basic information
- CAS
1233521-02-2- Standard SMILES
C#Cc1cc([N+](=O)[O-])ccc1C- InChIKey
SRKFXZQFDIEEDY-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- 2-Ethynyl-1-methyl-4-nitrobenzene
- IUPAC
- 2-ethynyl-1-methyl-4-nitrobenzene
- English name
- 2-Ethynyl-1-methyl-4-nitrobenzene
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
2-ethynyl-1-methyl-4-nitrobenzene1233521-02-22-Methyl-5-nitrophenylacetyleneMFCD11656155SCHEMBL3218901SCHEMBL23648373SCHEMBL299800602-ethynyl-1-methyl-4-nitro-benzeneAKOS006344561AS-60460SY251057D93901
Show more names
Benzene, 2-ethynyl-1-methyl-4-nitro-
EN300-1867633
Database identifiers
- CAS
1233521-02-2- PubChem CID
- 50998819
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 272.1 · 272.1±33.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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