| Identification | More | [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 Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
153-157 °C (lit.) | [Boiling point ]
274-276°C | [bulk density]
600kg/m3 | [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 | [InChI]
1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) | [InChIKey]
LULAYUGMBFYYEX-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cccc(Cl)c1 | [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 Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | [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 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 | [Hazardous Substances Data]
535-80-8(Hazardous Substances Data) |
| Hazard Information | Back 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.] |
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