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63545-54-0

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Basic Information
CAS No.: 63545-54-0
Name: P-CHLOROSULFONYLDIHYDROCINNAMIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 63545-54-0 (P-CHLOROSULFONYLDIHYDROCINNAMIC ACID)
Formula: C9H9ClO4S
Molecular Weight: 248.687
Synonyms: Hydrocinnamicacid, p-(chlorosulfonyl)- (7CI);3-[4-(Chlorosulfonyl)phenyl]propanoic acid;3-[4-(Chlorosulfonyl)phenyl]propionic acid;
Density: 1.462
Melting Point: 130-134 °C
Boiling Point: 402℃
Flash Point: 197℃
Solubility: It reacts with water.
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 79.82000
LogP: 2.71210
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Specification

The Benzenepropanoicacid, 4-(chlorosulfonyl)-, with the CAS registry number 63545-54-0, is also known as N-tert-Butoxycarbonyl-1,3-diaminopropane. It belongs to the product categories of Sulfonylhalide; Blocks; Carboxes; Sulfonamides. This chemical's molecular formula is C9H9ClO4S and molecular weight is 248.6834. Its systematic name is called 3-[4-(chlorylsulfanyl)phenyl]propanoic acid.

Physical properties of Benzenepropanoicacid, 4-(chlorosulfonyl)-: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 96.74 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cl(=O)Sc1ccc(cc1)CCC(O)=O
(2)InChI: InChI=1/C9H9ClO4S/c11-9(12)6-3-7-1-4-8(5-2-7)15-10(13)14/h1-2,4-5H,3,6H2,(H,11,12)
(3)InChIKey: NETWLFYMMYXUBB-UHFFFAOYAQ