2-Chloro-3-methylbenzoic acid
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2-Chloro-3-methylbenzoic acid
structure -
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CAS No:
15068-35-6
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Formula:
C8H7ClO2
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Chemical Name:
2-Chloro-3-methylbenzoic acid
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Synonyms:
2-CHLORO-3-METHYLBENZOIC ACID;2-CHLORO-M-TOLUIC ACID;3-methyl-2-chlorobenzoic acid;2-Chloro-3-Methyl;2-CHLORO-3-METHYLBENZOIC ACID 98%;2-Chloro-3-methylben
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CAS No:
Characteristics
37.3
3.3
White powder
1.310±0.06 g/cm3(Predicted)
142-144°C
288.7±20.0 °C(Predicted)
128.4±21.8 °C
1.573
0.00107mmHg at 25°C
Safety Information
IRRITANT
3
36/37/38-41-22
26-36/37/39-39
Xi,Xn
P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P501
H302
|Danger|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-3-methylbenzoic acid Use and Manufacturing
500mL stainless steel autoclave, Add 140g (1.0mol) of 2, 6-dimethylchlorobenzene, Add 0.14g of cobalt acetylacetonate, Add 0.14g potassium bromide, After vacuum nitrogen replacement for 2 times, Adding the first oxygen to a pressure of 0.3 to 0.5 MPa, Warm the system to 70-75 ° C, Turn on the stirring reaction, When the pressure in the kettle is less than 0.1 MPa, Supplementing the second oxygen to a pressure of 0.3 to 0.5 MPa, Add a total of 4 parts of oxygen, A total of 64g (2.0mol) of oxygen was added.The reaction time is 5-6 hours.Sampling and testing products accounted for 20percent, Raw materials account for 55percent, The intermediate product 2-chloro-3-methylbenzaldehyde accounts for 20percent.Cool down to room temperature, filter, Drain, The mother liquor is directly applied to the next batch (only 10percent catalyst can be added).The filter cake is dried, Get the target product, Weighing 33.1g, purity 98.0percent, The yield was 95percent (calculated as the raw material consumed).In the reaction system, 140 g of raw material 2, 6-dimethylchlorobenzene was added.Co(OAc)2 0.14g, NaBr 0.14g and 14g acetic acid, Warm the system to 95 ° C, Stir until the catalyst is completely dissolved.64 g of atmospheric pressure was introduced into the system for 6.7 h.Sampling test, Raw material 2, 6-dimethylchlorobenzene 20percent, The product 2-chloro-3-methylbenzoic acid is 40percent, 2, 6-dicarboxychlorobenzene 30percent, 2-chloro-3-carboxybenzaldehyde 5percent, 2-chloro-3-methylbenzaldehyde 5percent, The reaction solution was cooled to room temperature.After workup, the solid product 2-chloro-3-methylbenzoic acid is obtained.The yield was 30percent.(a) (a) (i)
Computed Properties
Molecular Weight:170.59
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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