Basic information
- CAS
619-75-0- Standard SMILES
O=[N+]([O-])c1ccc(C(Br)Br)cc1- InChIKey
MKHFRSNFHCJQIQ-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NO2
- Average molar mass
- 294.93 g/mol
- Monoisotopic mass
- 292.8687
Names & identifiers
- Preferred name
- Benzene, 1-(dibromomethyl)-4-nitro-
- IUPAC
- 1-(dibromomethyl)-4-nitrobenzene
- English name
- alpha,alpha-dibromo-4-nitrotoluene
- Molecular formula
- C7H5Br2NO2
- Molecular weight
- 294.93
Names & synonyms
1-(dibromomethyl)-4-nitrobenzeneBenzene, 1-(dibromomethyl)-4-nitro-p-Nitrobenzylidene bromidealpha,alpha-Dibromo-p-nitrotolueneNSC 5503EINECS 210-612-1DTXSID2060707Toluene, alpha,alpha-dibromo-p-nitro-RefChem:562390DTXCID5043180Toluene, alpha,alpha-dibromo-p-nitro-(8CI)619-75-0
Show more names
4-Nitrobenzal bromide?,?-dibromo-4-nitrotoluene1-Dibromomethyl-4-nitrobenzene
p-Nitrobenzal bromidealpha,alpha-Dibromo-4-nitrotolueneMFCD00605327Benzene,1-(dibromomethyl)-4-nitro-4-Nitrobenzal-bromidSCHEMBL5842043NSC5503Toluene,.alpha.-dibromo-p-nitro-
Database identifiers
- CAS
619-75-0- PubChem CID
- 69276
- DTXSID
DTXSID2060707- EC Number
- 210-612-1
- Nikkaji
- J79.749I
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 161
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 76 · 76-78 °C(Solv: ethanol (64-17-5))
- Boiling point
- 334.2 · 334.2±32.0 °C(Predicted)
- Density
- 2.038 · 2.038±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to light yellow Solid
- EPA Substance Registry System
- 1 · Benzene, 1-(dibromomethyl)-4-nitro- (619-75-0)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H314-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(dibromomethyl)-4-nitro-: INACTIVE
Applications
Uses1-(Dibromomethyl)-4-nitrobenzene is useful reactant for the synthesis of substituted benzaldehydes and 2-formylbenzonitriles,
Suppliers13 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
黄石精驰医药有限公司17771967576; 17771967576 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海祉夏化工科技有限公司15216847143 18321145570 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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