ChemicalBook--->CAS DataBase List--->535-80-8

535-80-8

535-80-8 Structure

535-80-8 Structure
IdentificationMore
[Name]

3-Chlorobenzoic acid
[CAS]

535-80-8
[Synonyms]

3-CHLOROBENZOIC ACID
AKOS BBS-00003733
LABOTEST-BB LT00774829
MCBA
M-CHLOROBENZOIC ACID
RARECHEM AL BO 0039
3-Chlorbenzoesαure
3-chlorobenzoic
3-chloro-benzoicaci
Acido m-clorobenzoico
acidom-clorobenzoico
Benzoic acid, m-chloro-
Benzoicacid,3-chloro-
m-Chlorbenzoesαure
m-chloro-benzoicaci
m-Chlorobenzoic acid 3-Chlorobenzoic acid
3-CHLOROBENZOIC ACID, 99+%
3-Chlorobenzoic acid, tech.,97%
m-Chlorobenzoic
3-CHLOROBENZOATE
[EINECS(EC#)]

208-618-4
[Molecular Formula]

C7H5ClO2
[MDL Number]

MFCD00002491
[Molecular Weight]

156.57
[MOL File]

535-80-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

153-157 °C (lit.)
[Boiling point ]

274-276°C
[density ]

1.496
[refractive index ]

1.5812 (estimate)
[Fp ]

150 °C
[storage temp. ]

Store below +30°C.
[solubility ]

0.45g/l
[form ]

Crystalline Powder
[pka]

3.82(at 25℃)
[color ]

White to beige
[Stability:]

Skin, eye and respiratory irritant.
[Water Solubility ]

<0.1 g/100 mL at 19.5 ºC
[Merck ]

14,2123
[BRN ]

907218
[CAS DataBase Reference]

535-80-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 3-chloro-(535-80-8)
[EPA Substance Registry System]

535-80-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DG4975990
[Autoignition Temperature]

>500 °C
[TSCA ]

Yes
[HS Code ]

29163900
[Hazardous Substances Data]

535-80-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Silver chloride-->3-Chlorotoluene-->2-Amino-5-chlorobenzoic acid-->3,5-Dichlorobenzoic acid-->m-Chlorotrichlorotoluene
[Preparation Products]

(S)-3-Aminoquinuclidine dihydrochloride-->6-CHLOROISOBENZOFURAN-1(3H)-ONE-->3-Chlorobenzoyl chloride-->5-Chloro-2-hydroxybenzoic acid-->2,3-Dichlorobenzoic acid-->ISOVALERIC ANHYDRIDE-->Ethyl (3-chlorobenzoyl)acetate-->Methyl 3-chlorobenzoate-->2,3'-Dichloroacetophenone-->3-Chlorobenzyl alcohol-->3-Chloro-N,N-diethylbenzaMide, 97%
Hazard InformationBack Directory
[General Description]

Crystals or fluffy white powder.
[Reactivity Profile]

M-CHLOROBENZOIC ACID(535-80-8) is incompatible with strong oxidizing agents.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this compound are not available; however, M-CHLOROBENZOIC ACID is probably combustible.
[Chemical Properties]

white to light yellow crystal powder
[Uses]

A fundamental chemical building block commonly used in organic synthesis of more complex structures.
[Definition]

ChEBI: 3-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 3. It has a role as a drug metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-chlorobenzoate.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 76, p. 5755, 1954 DOI: 10.1021/ja01651a039
Tetrahedron Letters, 25, p. 783, 1984
[Purification Methods]

Crystallise the acid successively from glacial acetic acid, aqueous EtOH and pet ether (b 60-80o). It also recrystallises from *C6H6 or Et2O/hexane, and sublimes at 55o in a vacuum. [Anal Chem 26 726 1954] The methyl ester has m 21o, b 231o/760mm. The S-benzylisothiouronium salt has m 164-165o (from EtOH) [Friediger & Pedersen Acta Chem Scand 9 1425 1955, Samuel J Chem Soc 1318 1960]. [Beilstein 9 IV 969.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Chlorobenzoic acid(535-80-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chlorobenzoic acid(535-80-8)MS
3-Chlorobenzoic acid(535-80-8)1HNMR
3-Chlorobenzoic acid(535-80-8)13CNMR
3-Chlorobenzoic acid(535-80-8)IR1
3-Chlorobenzoic acid(535-80-8)IR2
3-Chlorobenzoic acid(535-80-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chlorobenzoic acid, 99+%(535-80-8)
[Alfa Aesar]

3-Chlorobenzoic acid, 99%(535-80-8)
[Sigma Aldrich]

535-80-8(sigmaaldrich)
[TCI AMERICA]

3-Chlorobenzoic Acid,>99.0%(T)(535-80-8)
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