2,6-Dichlorobenzaldehyde

HCID 6737CAS 83-38-5

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

2,6-DICHLOROBENZALDEHYDE83-38-5Benzaldehyde, 2,6-dichloro-MFCD000033072,6-dichloro benzaldehydeDTXSID50249702,6-dichloro-benzaldehydeNSC-7193781ADM5611o,o'-Dichlorobenzaldehyde; NSC 7193;CCRIS 6014NSC 7193
Show more names
AURORA 14017AKOS BBS-000031702,6-DichlorobenzaldeLABOTEST-BB LT014609026-Dichlorobenzaldehyde2,6-Dichloobenzaldehyde2,6-Dichlor-Benzaldehyd2,6-dichloro-benzaldehyd
EINECS 201-472-2UNII-781ADM5611NSC71932,6dichloro-benzaldehydeBenzaldehyde,6-dichloro-2,6-dichloro -benzaldehydeSCHEMBL96213SCHEMBL96214

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

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point329 °F at 760 mmHg (NTP, 1992)
Melting Point158 to 160 °F (NTP, 1992)
Physical Description · 2 items

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 3 items

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

DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards · 1 item

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.

Hazards SummarySensitive to air, moisture, and light; Causes burns; Inhalation may cause chemical pneumonitis and pulmonary edema; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactive GroupAldehydes

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

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

Chemistry & industry

Uses & manufacturing

UsesUsed to make pharmaceuticals, dyes, and other organic chemicals; [NTP]
General Manufacturing InformationBenzaldehyde, 2,6-dichloro-: ACTIVE

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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Related reactions

146 records

Linked notes

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