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3-(?????)???

3-(?????)???
3-(?????)??? ??? ???
?? ??:
31719-77-4
???:
3-(?????)???
???(??):
3-(?????)???
???:
3-(Chloromethyl)benzoic acid
???(??):
NSC 49611;α-chloro-m-toluic acid;3-(Chloromethyl)Benzoic;Bedaquiline Impurity 106;m-Chloromethylbenzoic acid;ALPHA-CHLORO-M-TOLUIC ACID;3-(CHLOROMETHYL)BENZOIC ACID;Benzoic acid, 3-(chloromethyl)-;3-(CHLOROMETHYL) BENZOIC ACID 98%;metachloromethylbenzenemacetic acid
CBNumber:
CB2335106
???:
C8H7ClO2
??? ??:
170.59
MOL ??:
31719-77-4.mol
MSDS ??:
SDS

3-(?????)??? ??

???
136-138 °C (lit.)
?? ?
327.2±25.0 °C(Predicted)
??
1.315±0.06 g/cm3(Predicted)
?? ??
Inert atmosphere,2-8°C
???
???: 20mg/mL, ??
?? ?? (pKa)
4.09±0.10(Predicted)
??? ??
??
??? ??
??? ??
??
???
BRN
637114
InChI
1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
PBSUMBYSVFTMNG-UHFFFAOYSA-N
SMILES
OC(=O)c1cccc(CCl)c1
CAS ??????
31719-77-4(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,C
?? ???? ?? 36/37/38-34-20/21/22
????? 26-36-45-36/37/39
????(UN No.) UN 2811 6.1/PG 3
WGK ?? 3
F ?????? 19
?? ?? 8
????
HS ?? 2916399090
???? ??? 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Skin Corr. 1B
????(GHS): Corrosion (GHS05)Exclamation Mark (GHS07)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H314 ??? ?? ??? ?? ??? ??? ????? ?? ????? ?? 1A, B, C ?? P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
??????:
P260 ??·?·??·???·??·...·????? ???? ???.
P280 ????/???/???/?????? ?????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P303+P361+P353 ??(?? ????)? ??? ??? ?? ??? ??? ????? ??? ?? ????/?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
3 0

3-(?????)??? C??? ??, ??, ??

??

3-(Chloromethyl)benzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

?? ??

3-(Chloromethyl)benzoic acid (m-Chloromethylbenzoic acid) is a meta-substituted benzoic acid derivative. Correlations between Hammett substituent constants and calculated dipole moments and molecular transform and normalized molecular moment structure indices for m-chloromethylbenzoic acid was investigated. Hammett constants were observed to be linearly related only to the normalized charge moment index.

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3-(?????)??? ?? ??:

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