염화 o-톨루엔술폰산

염화o-톨루엔술폰산 · O-토릴설포닐 클로라이드 · 2-메틸벤젠설포닐 클로라이드 · o-톨루엔설포닐 클로라이드 · 염화 o-톨루엔술폰산 · 2-METHYLBENZENESULFONYL CHLORIDE · o-Toluenesulfochloride · o-tosylchloride

https://huagongshe.com/ko/chemical/8623

식별자 및 물리적 특성

CAS No.	133-59-5
분자식	C7H7ClO2S
평균 분자량	190.65 g/mol
단동위원소 질량	189.9855283 g/mol
SMILES	Cc1ccccc1S(=O)(=O)Cl
InChIKey	HDECRAPHCDXMIJ-UHFFFAOYSA-N
PubChem CID	8623
EC No.	205-113-0
DTXSID	DTXSID7051682
현지명	염화 o-톨루엔술폰산

화학 및 물리적 성질

XLogP	2.3
극성 표면적	42.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	217
밀도	1.3383 AT 20 °C/4 °C1.320 g/mL at 25 °C(lit.)
Color/Form	OILY LIQUID
용해도	INSOL IN WATERSOL IN HOT ALCOHOL, BENZENE, ETHER아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
끓는 점	154 °C AT 36 MM HG254 °C(lit.)
녹는점	10.2 °C10°C
굴절률	SADTLER REF NUMBER: 10657 (IR, PRISM)INDEX OF REFRACTION: 1.5565 AT 20 °C/Dn20/D >1.5580(lit.)
Physical Description	Liquid[HSDB] Colorless or yellow liquid[MSDSonline]
인화점	>230 °F
저장 조건	Store under inert gas
물리적 상태	투명한 액체
색상	무색~연황색
용해도	뜨거운 알코올, 에테르, 벤젠에 용해됩니다. 물과 반응합니다.
BRN	973180
InChI	InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
InChIKey	HDECRAPHCDXMIJ-UHFFFAOYSA-N
SMILES	C1(S(Cl)(=O)=O)=CC=CC=C1C
EPA	Benzenesulfonyl chloride, 2-methyl- (133-59-5)

안전 및 규제

위험 참고 사항
GHS 분류	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (76.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 요약	Reacts with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline]
Hazard Classes and Categories	Skin Corr. 1C (100%)Eye Dam. 1 (76.9%)
유해 작용	Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	2904100090
위험 문구(R)	34
위험 표시	C,Xi
안전 문구(S)	26-36/37/39-45
포장분류	II
위험 등급	8Skin Corr. 1B
기존화학 물질	KE-24846

용도

o-Toluenesulfonyl chloride is used in organic synthesis and saccharin production. It is also used as pharmaceutical intermediate.

일반 설명

o-Toluenesulfonyl chloride can be synthesized by reacting o-thiocresol in glacial acetic acid with chlorine. It participates in the preparation of 5-chloro-3-phenyl-2,1-benzisoxazole.