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品質等級
化驗
97%
mp
136-138 °C (lit.)
溶解度
methanol: soluble 20 mg/mL, clear
官能基
carboxylic acid
chloro
SMILES 字串
OC(=O)c1cccc(CCl)c1
InChI
1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI 密鑰
PBSUMBYSVFTMNG-UHFFFAOYSA-N
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一般說明
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.
訊號詞
Danger
危險分類
Acute Tox. 4 Oral - Skin Corr. 1B
儲存類別代碼
8A - Combustible corrosive hazardous materials
水污染物質分類(WGK)
WGK 3
閃點(°F)
Not applicable
閃點(°C)
Not applicable
個人防護裝備
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Molecular structural index control in property-directed clustering and correlation.
International Journal of Quantum Chemistry, 80(6), 1164-1171 (2000)
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