Basic information
- CAS
58579-54-7- Standard SMILES
O=[N+]([O-])c1cccc(Br)c1CBr- InChIKey
JCBTXEUYUWGIMU-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NO2
- Average molar mass
- 294.93 g/mol
- Monoisotopic mass
- 292.8687026
Names & identifiers
- Preferred name
- 1-Bromo-2-(bromomethyl)-3-nitrobenzene
- IUPAC
- 1-bromo-2-(bromomethyl)-3-nitrobenzene
- English name
- 1-broMo-2-(broMoMethyl)-3-nitrobenzene
- Molecular formula
- C7H5Br2NO2
- Molecular weight
- 294.93
Names & synonyms
1-bromo-2-(bromomethyl)-3-nitrobenzene58579-54-7DTXSID10567715RefChem:75051DTXCID10518489815-165-12-Bromo-6-nitrobenzyl bromideMFCD11036286Benzene, 1-bromo-2-(bromomethyl)-3-nitro-SCHEMBL162263AKOS009358007CS-W021305
Show more names
1-bromo-2-bromomethyl-3-nitro-benzeneDS-2061SY0576351-bromo-2-(bromomethyl)-3-nitro-benzene2-nitro-6-b2-nitro-6-bromo benzyl bromideSCHEMBL29704507DB-364893
Database identifiers
- CAS
58579-54-7- PubChem CID
- 15063170
- DTXSID
DTXSID10567715- EC Number
- 815-165-1
Properties
Computed structural properties
- XLogP
- 3
- 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
- 171
Physicochemical properties
- Boiling point
- 320.6 · 320.6±27.0 °C(Predicted)
- Density
- 2.006 · 2.006±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- crystalline powder
- color
- Off-white/faint yellow
- InChI
- InChI=1S/C7H5Br2NO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
- InChIKey
- JCBTXEUYUWGIMU-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=CC([N+]([O-])=O)=C1CBr
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P261
- HS Code
- 2916399090 · 2916399090
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (33.3%)
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P302+P352-P261
Chemistry & industry
Applications
Uses2-Bromo-6-nitrobenzyl Bromide was used in preparation and reaction with triphenylphosphine for synthesis of 3- and 4-substituted indoles.2-Bromo-6-nitrobenzyl Bromide was a reagent in preparation of synthesis of acid photogenerators for lithographic resist applications.
Upstream & downstream products
Upstream raw materials
Suppliers67 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
Related reactions
17 records
Compound notes
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