Basic information
- CAS
99-29-6- Standard SMILES
Nc1c(Cl)cc([N+](=O)[O-])cc1Br- InChIKey
GLUCALKKMFBJEB-UHFFFAOYSA-N- Molecular formula
- C6H4BrClN2O2
- Average molar mass
- 251.46 g/mol
- Monoisotopic mass
- 249.91447
Names & identifiers
- Preferred name
- 2-Bromo-6-chloro-4-nitroaniline
- IUPAC
- 2-bromo-6-chloro-4-nitroaniline
- English name
- 2-BROMO-6-CHLORO-4-NITROANILINE
- Molecular formula
- C6H4BrClN2O2
- Molecular weight
- 251.47
Names & synonyms
2-Bromo-6-chloro-4-nitroaniline2-Chloro-4-nitro-6-bromoanilineBenzenamine, 2-bromo-6-chloro-4-nitro-6-Bromo-2-chloro-4-nitroaniline2-bromo-6-chloro-4-nitrobenzenamine2-Bromo-4-nitro-6-chloroaniline2-Chloro-6-bromo-4-nitroanilineXP2L34WT49EINECS 202-745-9NSC 88985NSC-88985DTXSID2059192
Show more names
2-bromo-6-chloro-4-nitro-benzenamin2-Bromo-6-chloro-4-nitroaniline >Benzenamine, 2-bromo-6-chloro-4-nitro-(2-bromo-6-chloro-4-nitro-phenyl)amine1-amino-2-bromo-4-nitro-6-chlorobenzene2-BROMO-6-CHLORO-4-NITROANILINE ISO 9001：2015 REACH
GLUCALKKMFBJEB-UHFFFAOYSA-RefChem:85799DTXCID0049101202-745-9GLUCALKKMFBJEB-UHFFFAOYSA-NInChI=1/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H299-29-6MFCD00014770
Database identifiers
- CAS
99-29-6- PubChem CID
- 66832
- DTXSID
DTXSID2059192- UNII
- XP2L34WT49
- EC Number
- 202-745-9
- Nikkaji
- J38.264G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 176 · 176-178 °C(lit.)
- Boiling point
- 344.7 · 344.7±37.0 °C(Predicted)
- Density
- 1.909 · 1.909±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -3.31 · -3.31±0.20(Predicted)
- color
- Light yellow to Yellow to Orange
- BRN
- 2372771 · 2372771
- InChI
- 1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
- InChIKey
- GLUCALKKMFBJEB-UHFFFAOYSA-N
- SMILES
- Nc1c(Cl)cc(cc1Br)[N+]([O-])=O
- CAS DataBase Reference
- 99 · 99-29-6(CAS DataBase Reference)
- FDA UNII
- 2 L34WT49 · XP2L34WT49
- EPA Substance Registry System
- 2 · 2-Bromo-6-chloro-4-nitroaniline (99-29-6)
- UNSPSC Code
- 12352100 · 12352100
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 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (11.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2921.42.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-H301-H311-H331-H373-H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-bromo-6-chloro-4-nitro-: ACTIVE
Applications
Uses2-Bromo-6-chloro-4-nitroaniline is an organic amine compound that can be used in gas chromatography for analytical determinations, as well as for hydrogen bonding in C-substituted nitroanilines: simpleC(8) chain studies in 2-bromo-6-chloro-4-nitroaniline[1-2].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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