2-Methylbenzenesulfonamide

O/P-toluenesulfonate · o-(or p)-toluenesulphonamide · Benzenesulfonamide, 2(or 4)-methyl- · o/p-Toluenesulfonamide@1000 μg/mL in Acetone

https://huagongshe.com/ko/chemical/6924

식별자 및 물리적 특성

CAS No.	1333-07-9
분자식	C7H9NO2S
평균 분자량	171.22 g/mol
단동위원소 질량	171.03539953 g/mol
SMILES	Cc1ccccc1S(N)(=O)=O
InChIKey	YCMLQMDWSXFTIF-UHFFFAOYSA-N
PubChem CID	6924
ChEMBL	CHEMBL176892
EC No.	201-808-8
DTXSID	DTXSID7021362

화학 및 물리적 성질

XLogP	0.8
극성 표면적	68.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	217
물질 분류	Nitrogen Compounds -> Sulfonamides
SpringerMaterials Properties	Crystal structure
LogP(분배 계수)	log Kow = 0.84
Plasticizers	Plasticizer
밀도	1.46 g/cm³
Color/Form	Octahedral crystals from alcoholprisms from waterColorless crystals
용해도	In water, 1.62X10+3 mg/L at 25 °CSlightly soluble in waterSoluble in alcoholslightly soluble in etherSlightly soluble in ether, DMSOsoluble in ethanolSolubility in water, g/100ml at 25 °C: 0.162
끓는 점	214 °C at 10 mm Hg>270 °C
녹는점	156.3 °C156 °C
증기압	0.00006 [mmHg]Vapor pressure at 25 °C: negligible
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
헨리 상수	Henry's Law constant = 4.7X10-7 atm-cu m/mole at 25 °C

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 65.9% (112 of 170) of all reports.WarningH319 (28.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 170 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified
규제 정보	Chemical: Benzenesulfonamide, 2-methyl-Benzenesulfonamide, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonamide, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10712Benzenesulfonamide, 2(or 4)-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.Toluene-2-sulfonamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
기타 안전 정보	Evaluation - Toluenesulfonamides
화재 위험	Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
유해성 요약	A mutagen, tumorigen, reproductive effector, and moderate eye irritant[RTECS] Used therapeutically, sulfonamides can cause a range of hypersensitivity reactions including rashes and injury to the liver and kidneysMethemoglobinemia has been reported after overdose[HSDB] An eye irritant[ICSC] An irritant[MSDSonline] See p-Toluenesulfonamide and Toluenesulfonamide.
FDA 요건	o- and p-Toluene sulfonamide is an indirect food additive for use as a component of adhesives. /o- and p-Toluene sulfonamide/
Chemical Dangers	Decomposes on burning. This produces toxic fumes including nitrogen oxides and sulfur oxides. Reacts with acids, bases and strong oxidants.