3-Chlorobenzaldehyde
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Basic information
- CAS
587-04-2- Standard SMILES
O=Cc1cccc(Cl)c1- InChIKey
SRWILAKSARHZPR-UHFFFAOYSA-N- Molecular formula
- C7H5ClO
- Average molar mass
- 140.56 g/mol
- Monoisotopic mass
- 140.00289246
Names & identifiers
- Preferred name
- 3-Chlorobenzaldehyde
- IUPAC
- 3-chlorobenzaldehyde
- English name
- 3-Chlorobenzaldehyde
- Molecular formula
- C7H5ClO
- Molecular weight
- 140.57
Names & synonyms
3-CHLOROBENZALDEHYDEBenzaldehyde, 3-chloro-m-Chlorobenzenecarboxaldehydemeta-ChlorobenzaldehydeQPX6TA6X3RCCRIS 86133-CHLOROPHENYLCARBOXALDEHYDEEINECS 209-596-9NSC 60107NSC-60107AI3-10532DTXSID1074591
Show more names
MCADACAD1MCADHAKOS BBS-000031583-ChlorbenzaldehydChlorobenzaldehyde-33-Chlorobenzaldehyde98%
RefChem:93503Benzaldehyde, 3-chloro-(9CI)DTXCID0042458209-596-9InChI=1/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5SRWILAKSARHZPR-UHFFFAOYSA-N587-04-2m-Chlorobenzaldehyde
Database identifiers
- CAS
587-04-2- PubChem CID
- 11477
- DTXSID
DTXSID1074591- ChEMBL
CHEMBL4567544- UNII
- QPX6TA6X3R
- EC Number
- 209-596-9
- Nikkaji
- J96.205H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.26
Physicochemical properties
- Melting point
- 11 °C · 11 °C
- Boiling point
- 214 °C · 214 °C
- Density
- 1.24 · 1.24
- refractive index
- 1.56 · 1.56
- Flash point
- 88 °C · 88 °C
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- clear liquid
- Specific Gravity
- 1.235 · 1.235
- color
- Colorless to Light yellow
- Water Solubility
- insoluble
- Sensitive
- Air Sensitive
- BRN
- 507098 · 507098
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 87 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 3-chloro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Chlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 1-9
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 2913000090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3-chloro-: ACTIVE
Applications
Uses3-Chlorobenzaldehyde, is used as a medicine, dye intermediates and speciality chemicals. It is mainly used to produce medicine material and intermediate, chloral alcoholate and intermediate of acid mordant azurine-6B on dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
365 records
Compound notes
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