Basic information
- CAS
6361-22-4- Standard SMILES
O=Cc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
RZDOUWDCYULHJX-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO3
- Average molar mass
- 185.56 g/mol
- Monoisotopic mass
- 184.98797067
Names & identifiers
- Preferred name
- 2-Chloro-6-nitrobenzaldehyde
- IUPAC
- 2-chloro-6-nitrobenzaldehyde
- English name
- 2-Chloro-6-nitrobenzaldehyde
- Molecular formula
- C7H4ClNO3
- Molecular weight
- 185.56
Names & synonyms
2-Chloro-6-nitrobenzaldehyde6361-22-4Benzaldehyde, 2-chloro-6-nitro-EINECS 228-831-6X2F464NYW9RZDOUWDCYULHJX-UHFFFAOYSA-DTXSID70212991RefChem:86356DTXCID00135482228-831-6InChI=1/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4HRZDOUWDCYULHJX-UHFFFAOYSA-N
Show more names
oro-6-nitrobenzaLTIMTEC-BB SBB0037142-EHLORO-6-NITROBENZALDEHYDE2-CHLORO-6-NITROBENZALDEHYDE 97%2-CHLORO-6-NITROBENZALDEHYDE ISO 9001：2015 REACH
MFCD000072042-chloro-6-nitro-benzaldehydeUNII-X2F464NYW92-chloro-6-nitro-benzaldehyeSCHEMBL1035752-Nitro-6-chlorobenzaldehydeRZDOUWDCYULHJX-UHFFFAOYSAALBB-031679
Database identifiers
- CAS
6361-22-4- PubChem CID
- 80701
- DTXSID
DTXSID70212991- UNII
- X2F464NYW9
- EC Number
- 228-831-6
- Nikkaji
- J206.957A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 69 · 69-71 °C(lit.)
- Boiling point
- 298.8 · 298.8±25.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Yellow to Orange
- InChI
- InChI=1S/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
- InChIKey
- RZDOUWDCYULHJX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C([N+]([O-])=O)C=CC=C1Cl
- CAS DataBase Reference
- 6361 · 6361-22-4(CAS DataBase Reference)
- FDA UNII
- 2 F464NYW9 · X2F464NYW9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29124900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-6-nitrobenzaldehyde is mainly used in organic synthesis as an intermediate for dyes and other fine chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers90 total
Related reactions
6 records
Compound notes
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