2,5-Dichlorobenzoic acid

HCID 5784

Basic information

CAS
35915-19-6
Standard SMILES
O=C(O)c1cc(Cl)ccc1Cl
InChIKey
QVTQYSFCFOGITD-UHFFFAOYSA-N
Molecular formula
C7H4Cl2O2
Average molar mass
191.01 g/mol
Monoisotopic mass
189.95883473

Overview

2,5-dichlorobenzoic acid appears as needles (from water) or white powder. (NTP, 1992)

Names & identifiers

Preferred name
2,5-Dichlorobenzoic acid
IUPAC
2,5-dichlorobenzoic acid
English name
2,5-Dichlorobenzoic acid
Molecular formula
C7H4Cl2O2
Molecular weight
191.01

Names & synonyms

2,5-DICHLOROBENZOIC ACID50-79-3Benzoic acid, 2,5-dichloro-DTXSID5024978KP7CMR0GSDNSC-41889DTXCID504978CHEBI:132298RefChem:82809200-065-7MFCD000024162,5-dichlorobenzoicacid
Show more names
2,5-DBA2,5-DichlorobeRARECHEM AL BO 03552,5-Dichlorobenzoic aIrsogladine Impurity 2Irsogladine Impurity S5-Dichlorobenzoic acid2,5-dichloro-benzoicaci
NSC 41889AI3-334152,5-dichloro benzoic acidSCHEMBL224469NSC41889DICHLOROBENZOIC ACID, 2,5-CS-W013225NCGC00091859-03

Database identifiers

CAS
35915-19-6、50-79-3
PubChem CID
5784
DTXSID
DTXSID5024978
ChEMBL
CHEMBL326312
ChEBI
CHEBI:132298
UNII
KP7CMR0GSD
EC Number
200-065-7、252-788-2
Nikkaji
J55.460J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Boiling Point574 °F at 760 mmHg (NTP, 1992)
Melting Point304 to 309 °F (NTP, 1992)
Vapor Pressure0.000447 [mmHg]
Physical Description · 2 items

2,5-dichlorobenzoic acid appears as needles (from water) or white powder. (NTP, 1992)

Solid; [CAMEO] White to beige powder; [Acros Organics MSDS]

Physicochemical properties

Melting point
151 · 151-154 °C (lit.)
Boiling point
301 °C · 301 °C (lit.)
Density
1.441 · 1.4410 (rough estimate)
refractive index
1.459 · 1.4590 (estimate)
Flash point
300 · 300-302°C
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 5.4% (3 of 56) of reports.

Warning

H315 (92.9%): 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 56 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2,5-Dichlorobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation.
Hazards SummaryCauses rigidity (including catalepsy) and muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 237 mg/kg); [RTECS] An irritant; [Acros Organics MSDS]
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 item

Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

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.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
DG6825000
hs_code
29163900
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2,5-dichloro-: ACTIVE

Applications

Uses2,5-Dichlorobenzoic acid was used as calibration standard to investigate the gas-phase OH reaction products of biphenyl, monochlorobiphenyl and dichlorophenyl

General DescriptionNeedles (from water) or white powder.

Preparation methods

Preparation2,5-Dichlorobenzoic acid is obtained by reacting p-dichlorobenzene with phosgene to obtain 2,5-dichlorobenzoyl chloride, which is then hydrolyzed.

Suppliers100 total

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Additional notes

DefinitionChEBI: 2,5-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 5 are substituted by chloro groups. It is a chlorobenzoic acid and a dichlorobenzene.

Related reactions

80 records

Compound notes

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