2,4-Dichlorobenzaldehyde

HCID 13404CAS 874-42-0

Basic information

Standard SMILES
O=Cc1ccc(Cl)cc1Cl
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
Molecular formula
C7H4Cl2O
Average molar mass
175.01 g/mol
Monoisotopic mass
173.96392011

Overview

2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

Names & identifiers

Preferred name
2,4-Dichlorobenzaldehyde
IUPAC
2,4-dichlorobenzaldehyde
English name
2,4-Dichlorobenzaldehyde
Molecular formula
C7H4Cl2O
Molecular weight
175.01

Names & synonyms

2,4-DICHLOROBENZALDEHYDE874-42-0Benzaldehyde, 2,4-dichloro-CCRIS 6013DTXSID1022130NSC 8762EINECS 212-861-1UNII-Z08QL2124RAI3-16063Z08QL2124RNSC-8762DTXCID302130
Show more names
DICHLOROBENZALDEHYDE2,4-DCADAKOS BBS-000031962,4-DichlorobenzaldeMiconazole Impurity 192,4-dichloro-benzaldehyd4-DichlorobenzenaldehydeDICHLOROBENZALDEHYDE(2,4-)2,4-Dichlorobenzenaldehyde
O,P-DICHLOROBENZALDEHYDEDICHLOROBENZALDEHYDE, 2,4-2,4-DICHLOROPHENYLCARBOXALDEHYDERefChem:82375212-861-1InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4YSFBEAASFUWWHU-UHFFFAOYSA-N2,4-dichloro-benzaldehyde

Database identifiers

CAS
874-42-0
PubChem CID
13404
DTXSID
DTXSID1022130
ChEMBL
CHEMBL1531235
UNII
Z08QL2124R
EC Number
212-861-1
Nikkaji
J30.720C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.33 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point451 °F at 760 mmHg (NTP, 1992)
Melting Point156 to 163 °F (NTP, 1992)

Physicochemical properties

Melting point
64 · 64-69 °C (lit.)
Boiling point
233 °C · 233 °C (lit.)
Density
1.3456 · 1.3456 (rough estimate)
bulk density
700 kg/m3 · 700kg/m3
refractive index
1.5756 · 1.5756 (estimate)
Flash point
135 °C · 135 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 2,4-dichloro-

2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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

SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.

Reactive GroupAldehydes
Reactivity Profile2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992)

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.

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
Toxicity
LD50 orally in Rabbit: 3470 mg/kg

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2,4-dichloro-: ACTIVE
Applications · 3 items

Uses2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.

Uses2,4-Dichlorobenzaldehyde was used in the solid-phase synthesis of a series of indole-based peptoids.

General DescriptionWhite crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [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]

Related reactions

204 records

Linked notes

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