Basic information
- Standard SMILES
O=Cc1c(Cl)cccc1Cl- InChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O
- Average molar mass
- 175.01 g/mol
- Monoisotopic mass
- 173.96392011
Overview
Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzaldehyde
- IUPAC
- 2,6-dichlorobenzaldehyde
- English name
- 2,6-Dichlorobenzaldehyde
- Molecular formula
- C7H4Cl2O
- Molecular weight
- 175.01
Names & synonyms
Show more names
Database identifiers
- CAS
83-38-5- PubChem CID
- 6737
- DTXSID
DTXSID5024970- ChEMBL
CHEMBL1442731- UNII
- 781ADM5611
- EC Number
- 201-472-2
- Nikkaji
- J60.295G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Physical Description
Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)
Yellowish or off-white solid with a pungent odor; [CAMEO] Off-white hygroscopic powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 69 · 69-71 °C (lit.)
- Boiling point
- 165 °C · 165°C
- Density
- 1.3456 · 1.3456 (rough estimate)
- refractive index
- 1.5756 · 1.5756 (estimate)
- Flash point
- 135 °C · 135°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 1 g/l · <1g/l insoluble
- form
- Crystalline Powder
- color
- White to light beige
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 23 ºC
- Sensitive
- Air Sensitive
- BRN
- 386477 · 386477
- Stability
- Stable. Incompatible with strong oxidizing agents, strong bases. Air, light and moisture sensitive.
- InChI
- 1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChIKey
- DMIYKWPEFRFTPY-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1c(Cl)cccc1Cl
- CAS DataBase Reference
- 83 · 83-38-5(CAS DataBase Reference)
- FDA UNII
- 781 ADM5611 · 781ADM5611
- NIST Chemistry Reference
- 2 · Benzaldehyde, 2,6-dichloro-(83-38-5)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,6-dichloro- (83-38-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-27-28-36/37/39-45-37/39
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 2 · 2
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29130000 · 29130000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Inactive
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (94.2%): 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 52 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2,6-dichloro-
Status: Active Update: 15-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33354
2,6-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, destruction of the mucous membranes, upper respiratory tract, eyes, and skin; coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Toxicology
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29130000
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45-37/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- 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)
- REACH Registrations
- Inactive
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
Applications
UsesAn intermediate in the synthesis of substituted (2,6-dichlorobenzylideneamino)guanidines and some hydrazone derivatives of C-cyanoformamidrazone. It showed antihypertensive activity.
General DescriptionYellowish flakes or fine off-white powder. Pungent odor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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