Cas no 103877-67-4 (Benzoic acid, 5-amino-2,4-dichloro-3-methyl-, methyl ester)
103877-67-4 structure
Product Name:Benzoic acid, 5-amino-2,4-dichloro-3-methyl-, methyl ester
CAS No:103877-67-4
MF:C9H9Cl2NO2
MW:234.079260587692
CID:1139534
Update Time:2024-07-27
Benzoic acid, 5-amino-2,4-dichloro-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 5-amino-2,4-dichloro-3-methyl-, methyl ester
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- Inchi： 1S/C9H9Cl2NO2/c1-4-7(10)5(9(13)14-2)3-6(12)8(4)11/h3H,12H2,1-2H3
- InChI Key： MFUMOLRXBFYAKT-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC(N)=C(Cl)C(C)=C1Cl
Computed Properties
- Exact Mass: 233.00117
Experimental Properties
- Density: 1.378±0.06 g/cm3(Predicted)
- Boiling Point: 347.1±37.0 °C(Predicted)
- PSA: 52.32
- pka: 0.99±0.10(Predicted)
Benzoic acid, 5-amino-2,4-dichloro-3-methyl-, methyl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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