3-Methyl-4-nitrobenzyl bromide
Basic information
- CAS
141281-38-1- Standard SMILES
Cc1cc(CBr)ccc1[N+](=O)[O-]- InChIKey
WOUWGCLQOJPWHS-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.9738406
Names & identifiers
- Preferred name
- 3-Methyl-4-nitrobenzyl bromide
- IUPAC
- 4-(bromomethyl)-2-methyl-1-nitrobenzene
- English name
- 3-Methyl-4-nitrobenzyl bromide 97
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
3-Methyl-4-nitrobenzyl bromide141281-38-1DTXSID10403386RefChem:280902DTXCID30354240628-537-14-(bromomethyl)-2-methyl-1-nitrobenzeneMFCD040399203-methyl-4-nitrobenzylbromideSCHEMBL5088714-(bromomethyl)-2-methyl-1-nitro-benzene3-METHYL-4-NITROBENZYL BROMIDE 97
Show more names
3-methyl-4-nitrobromobenzyl3-Methyl-4-nitrobenzyl bromide 973-Methyl-4-nitrobenzyl broMide 97%
Benzene, 4-(bromomethyl)-2-methyl-1-nitro-3-Methyl-4-nitrobenzyl bromide, 97%SCHEMBL28088954AKOS015889343FS-4122DA-10529SY066092N12011
Database identifiers
- CAS
141281-38-1- PubChem CID
- 4445978
- DTXSID
DTXSID10403386- EC Number
- 628-537-1
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 169
Physicochemical properties
- Melting point
- 46 · 46-48 °C(lit.)
- Boiling point
- 310.7 · 310.7±27.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- Flash point
- 221 °F · >221 °F
- form
- solid
- color
- Faint yellow
- InChI
- 1S/C8H8BrNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3
- InChIKey
- WOUWGCLQOJPWHS-UHFFFAOYSA-N
- SMILES
- Cc1cc(CBr)ccc1[N+]([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904990090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8B - Non-combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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