1-Phenyl-2-nitropropene

Modify Date: 2026-07-14 17:25:58

1-Phenyl-2-nitropropene Structure
1-Phenyl-2-nitropropene structure
Common Name 1-Phenyl-2-nitropropene
CAS Number 705-60-2 Molecular Weight 163.173
Density 1.1±0.1 g/cm3 Boiling Point 263.0±9.0 °C at 760 mmHg
Molecular Formula C9H9NO2 Melting Point 63-65ºC
MSDS N/A Flash Point 115.7±11.5 °C

 Use of 1-Phenyl-2-nitropropene


1-Phenyl-2-nitropropene is a biochemical.

Summary: 1-Phenyl-2-nitropropene, Chinese name 1-苯基-2-硝基丙烯, CAS number 705-60-2, molecular formula C9H9NO2, molecular weight 163.173, appearance orange needle-like, melting point 63-65℃, boiling point 263.0±9.0 °C, density 1.1±0.1 g/cm3. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1-Phenyl-2-nitropropene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.1±0.1 g/cm3
Boiling Point 263.0±9.0 °C at 760 mmHg
Melting Point 63-65ºC
Molecular Formula C9H9NO2
Molecular Weight 163.173
Flash Point 115.7±11.5 °C
Exact Mass 163.063324
PSA 45.82000
LogP 2.70
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.586
InChIKey WGSVFWFSJDAYBM-BQYQJAHWSA-N
SMILES CC(=Cc1ccccc1)[N+](=O)[O-]
Storage condition 2-8°C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA6495000
CHEMICAL NAME :
Benzene, 1-(2-nitropropenyl)-
CAS REGISTRY NUMBER :
705-60-2
BEILSTEIN REFERENCE NO. :
1863853
LAST UPDATED :
199706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H9-N-O2
MOLECULAR WEIGHT :
163.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 13,285,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1176 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 11,321,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
154 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 11,321,1963

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36-37/39
WGK Germany 3
RTECS DA6495000
HS Code 2904209090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2904209090
Summary 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(2-Nitroprop-1-en-1-yl)benzene
2-NITROPROP-1-ENYLBENZENE
[(1E)-2-Nitro-1-propen-1-yl]benzene
1-Phenyl-2-nitro-1-propene
2-NITRO-1-PHENYLPROPENE
[(1Z)-2-Nitro-1-propen-1-yl]benzene
MFCD00014720
β-Methyl-β-nitrostyrene
NITROPROPENYLBENZENE
2-Nitro-1-phenyl-1-propene

 1-Phenyl-2-nitropropene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of 1-Phenyl-2-nitropropene?
A: Boiling point of 1-Phenyl-2-nitropropene is 263.0±9.0 °C at 760 mmHg.
Q: What are the storage conditions for 1-Phenyl-2-nitropropene?
A: Storage conditions for 1-Phenyl-2-nitropropene: 2-8°C.
Q: What is the molecular formula of 1-Phenyl-2-nitropropene?
A: Molecular formula of 1-Phenyl-2-nitropropene is C9H9NO2.
Q: What is the CAS number of 1-Phenyl-2-nitropropene?
A: CAS number of 1-Phenyl-2-nitropropene is 705-60-2.
Q: What English synonyms does 1-Phenyl-2-nitropropene have?
A: English synonyms of 1-Phenyl-2-nitropropene: (2-Nitroprop-1-en-1-yl)benzene, 2-NITROPROP-1-ENYLBENZENE, [(1E)-2-Nitro-1-propen-1-yl]benzene, 1-Phenyl-2-nitro-1-propene, 2-NITRO-1-PHENYLPROPENE, [(1Z)-2-Nitro-1-propen-1-yl]benzene, MFCD00014720, β-Methyl-β-nitrostyrene, NITROPROPENYLBENZENE, 2-Nitro-1-phenyl-1-propene.
Q: What is the polar surface area (PSA) of 1-Phenyl-2-nitropropene?
A: Polar surface area (PSA) of 1-Phenyl-2-nitropropene is 45.82000.
Q: What is the InChIKey of 1-Phenyl-2-nitropropene?
A: InChIKey of 1-Phenyl-2-nitropropene is WGSVFWFSJDAYBM-BQYQJAHWSA-N.
Q: What is the melting point of 1-Phenyl-2-nitropropene?
A: Melting point of 1-Phenyl-2-nitropropene is 63-65ºC.
Q: What are the uses of 1-Phenyl-2-nitropropene?
A: Main uses of 1-Phenyl-2-nitropropene: 1-Phenyl-2-nitropropene is a biochemical.
Q: What is the LogP of 1-Phenyl-2-nitropropene?
A: LogP of 1-Phenyl-2-nitropropene is 2.70.

 1-Phenyl-2-nitropropenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Henan Tianfu Chemical Co., Ltd.
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