Basic information
- CAS
18984-21-9- Standard SMILES
O=[N+]([O-])/C=C/c1ccc(Cl)cc1Cl- InChIKey
LIWIJBBAMBDXME-ONEGZZNKSA-N- Molecular formula
- C8H5Cl2NO2
- Average molar mass
- 218.03 g/mol
- Monoisotopic mass
- 216.9697338
Names & identifiers
- Preferred name
- 2,4-Dichloro-1-(2-nitrovinyl)benzene
- IUPAC
- 2,4-dichloro-1-[(E)-2-nitroethenyl]benzene
- English name
- 2,4-Dichloro-omega-nitrostyrene
- Molecular formula
- C8H5Cl2NO2
- Molecular weight
- 218.04
Names & synonyms
18984-21-92,4-dichloro-1-(2-nitrovinyl)benzene34209-97-72,4-Dichloro-1-[(E)-2-nitroethenyl]benzene2,4-dichloro-1-(2-nitroethenyl)benzene2,4-Dichloro-beta-nitrostyrenetrans-2,4-Dichloro-beta-nitrostyrene2,4-dichloro-B-nitrostyreneCyto8E72,4-Dichloro-.omega.-nitrostyreneMFCD00053063Benzene, 2,4-dichloro-1-(2-nitroethenyl)-
Show more names
trans-2,4-dichloro-β-nitrostyrene2,4-DICHLORO-BETA-NITROSTYRENE 97%trans-2,4-Dichloro-beta-nitrostyrene 97%trans-2,4-Dichloro-β-nitrostyrene
CCG-413782,4-Dichloro-omega-nitrostyreneBS-53242(E)-2,4-dichloro-1-(2-nitrovinyl)benzene1-(2,4-Dichlorophenyl)-2-nitroethylene2,4-Dichloro-1-[(E)-2-nitroethenyl]benzene #1-((1E)-2-nitrovinyl)-2,4-dichlorobenzene1-(2,4-DICHLOROPHENYL)-2-NITROETHENE
Database identifiers
- CAS
18984-21-9- PubChem CID
- 690125
- DTXSID
DTXSID50879283
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 215
Experimental & physicochemical properties
LogP3.26
Physicochemical properties
- Melting point
- 115 · 115-119 °C(lit.)
- Boiling point
- 334.1 · 334.1±27.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- InChI
- 1S/C8H5Cl2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-5H/b4-3+
- InChIKey
- LIWIJBBAMBDXME-ONEGZZNKSA-N
- SMILES
- [H]\C(=C(\[H])[N+]([O-])=O)c1ccc(Cl)cc1Cl
- CAS DataBase Reference
- 18984 · 18984-21-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 2904990090
- risk_code
- 22-36-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
- Precautionary statements
- P273-P301+P312+P330-P305+P351+P338
Chemistry & industry
Applications
Uses2,4-DICHLORO-OMEGA-NITROSTYRENE is used as an intermediate in the production of nucleic acid drugs, health foods, and biochemical reagents, and is also used in the manufacture of biochemical drugs such as adenosine triphosphate and cyclic adenosine monophosphate.
Suppliers33 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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