trans-2-Chloro-beta-nitrostyrene

• CAS: 3156-34-1
• Catalog Number: ACM3156341
• Category: Alkenyl
• Molecular Weight: 183.59
• Molecular Formula: C8H6ClNO2
• Synonyms: 2-Chloro-.beta.-nitrostyrene, 2-Chloro-.omega.-nitrostyrene, 642185_ALDRICH, trans-2-Chloro-beta-nitrostyrene, Styrene, o-chloro-.beta.-nitro-, 1-chloro-2-(2-nitrovinyl)benzene, 1-Chloro-2-(2-nitrothenyl)benzene, NSC136463, ZINC00096671, Benzene, 1-chloro-2-(2-nitrothenyl)-, TL80073660, S 01393, 3156-34-1
• IUPAC Name: 1-chloro-2-[(E)-2-nitroethenyl]benzene
• Canonical SMILES: C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl
• InChI Key: QHKJTRDWAZGBLR-AATRIKPKSA-N
• Boiling Point: 295.3ºC at 760 mmHg
• Melting Point: 45-49ºC
• Flash Point: >230 °F
• Density: 1.324 g/cm³
• Exact Mass: 183.00900
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S36/37-S60-S61
• Symbol: GHS07
• WGK Germany: 2

Custom Q&A

What is the molecular formula of trans-2-Chloro-beta-nitrostyrene?

The molecular formula of trans-2-Chloro-beta-nitrostyrene is C8H6ClNO2.

What is the molecular weight of trans-2-Chloro-beta-nitrostyrene?

The molecular weight of trans-2-Chloro-beta-nitrostyrene is 183.59 g/mol.

What is the IUPAC name of trans-2-Chloro-beta-nitrostyrene?

The IUPAC name of trans-2-Chloro-beta-nitrostyrene is 1-chloro-2-[(E)-2-nitroethenyl]benzene.

What is the InChI of trans-2-Chloro-beta-nitrostyrene?

The InChI of trans-2-Chloro-beta-nitrostyrene is InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+.

What is the InChIKey of trans-2-Chloro-beta-nitrostyrene?

The InChIKey of trans-2-Chloro-beta-nitrostyrene is QHKJTRDWAZGBLR-AATRIKPKSA-N.

What is the canonical SMILES of trans-2-Chloro-beta-nitrostyrene?

The canonical SMILES of trans-2-Chloro-beta-nitrostyrene is C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl.

What is the isomeric SMILES of trans-2-Chloro-beta-nitrostyrene?

The isomeric SMILES of trans-2-Chloro-beta-nitrostyrene is C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])Cl.

What is the CAS number of trans-2-Chloro-beta-nitrostyrene?

The CAS number of trans-2-Chloro-beta-nitrostyrene is 3156-34-1.

What is the XLogP3 value of trans-2-Chloro-beta-nitrostyrene?

The XLogP3 value of trans-2-Chloro-beta-nitrostyrene is 2.9.

What is the hydrogen bond acceptor count of trans-2-Chloro-beta-nitrostyrene?

The hydrogen bond acceptor count of trans-2-Chloro-beta-nitrostyrene is 2.