Basic information
- CAS
22482-43-5- Standard SMILES
O=[N+]([O-])C=Cc1c(Cl)cccc1Cl- InChIKey
VXNHQIKJDIOBEC-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO2
- Average molar mass
- 218.03 g/mol
- Monoisotopic mass
- 216.9697338
Names & identifiers
- Preferred name
- 1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene
- IUPAC
- 1,3-dichloro-2-(2-nitroethenyl)benzene
- English name
- 2,6-Dichloro-omega-nitrostyrene
- Molecular formula
- C8H5Cl2NO2
- Molecular weight
- 218.04
Names & synonyms
1,3-Dichloro-2-[(E)-2-nitroethenyl]benzeneMaybridge1_007121SCHEMBL8040118DTXSID701284270AKOS030239599NCI60_000542DB-0459322,6-DICHLORO-W-NITROSTYRENE2,6-Dichloro-β-nitrostyrene2,6-DICHLORO-SS-NITROSTYRENE2,6-DICHLORO-BETA-NITROSTYRENE2,6-Dichloro-omega-nitrostyrene
Show more names
2',6'-DICHLORO-BETA-NITROSTYRENE2,6-Dichloro-^b-nitrostyrene, 97%2,6-Dichloro-omega-nitrostyrene,98%TRANS-2,6-DICHLORO-BETA-NITROSTYRENE1,3-DICHLORO-2-(2-NITROVINYL)BENZENE
Database identifiers
- CAS
22482-43-5- PubChem CID
- 98405
- DTXSID
DTXSID701284270
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 205
Physicochemical properties
- Melting point
- 63 · 63-67 °C(lit.)
- Boiling point
- 330.6 · 330.6±27.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 22482 · 22482-43-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-51/53
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
- Hazard Note
- Irritant
- HS Code
- 2921490090 · 2921490090
- Toxicity
- 50 · mouse,LD50,oral,706mg/kg (706mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
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
- wgk
- 2
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2921490090
- Toxicity
- mouse,LD50,oral,706mg/kg (706mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
- risk_code
- 22-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N,Xi
- hazard_note
- Irritant
- safety_code
- 61
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers22 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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