염화 o-톨루엔술폰산

o-Toluenesulfonyl chloride

HCID 8623CAS 133-59-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccccc1S(=O)(=O)Cl
InChIKey
HDECRAPHCDXMIJ-UHFFFAOYSA-N
분자식
C7H7ClO2S
평균 분자량
190.65 g/mol
단동위원소 질량
189.9855283

이름 및 식별자

우선 이름
o-Toluenesulfonyl chloride
IUPAC
2-methylbenzenesulfonyl chloride
현지명
염화 o-톨루엔술폰산
영어명
O-TOLUENESULFONYL CHLORIDE
분자식
C7H7ClO2S
분자량
190.65

이름 및 동의어

o-Toluenesulfonyl chloride133-59-52-Methylbenzenesulfonyl chloride2-methylbenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 2-methyl-Toluene-2-sulphonyl chloride2-Toluenesulfonyl chlorideo-Tosyl chlorideO-TOLYLSULFONYL CHLORIDE2-Methylbenzenesulphonyl chloride2-methyl-benzenesulfonyl chlorideortho-Toluenesulfochloride
이름 더 보기
염화o-톨루엔술폰산염화o-톨루엔술폰산O-토릴설포닐 클로라이드2-메틸벤젠설포닐 클로라이드o-톨루엔설포닐 클로라이드염화 o-톨루엔술폰산o-Toluenesulfochlorideo-tosylchlorideParoxetine Impurity 30o-tolylsulfonylchloridecontainsca23%isomer)75+%
toluene-2-sulfonyl chlorideortho-Toluenesulfonyl chlorideMFCD000248742-methylphenylsulfonyl chlorideo-methylbenzenesulfonyl chloride341L82E3WGNSC-9354o-Toluenesulfonyl Chloride (contains ca. 23% isomer)

데이터베이스 식별자

CAS
133-59-5、26763-71-3
PubChem CID
8623
DTXSID
DTXSID7051682
UNII
341L82E3WG
EC Number
205-113-0、247-990-2
Nikkaji
J134.588E

물성

구조 계산 물성

XLogP
2.3
극성 표면적
42.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Density1.3383 AT 20 °C/4 °C
Color/FormOILY LIQUID
Solubility · 2건

INSOL IN WATER

SOL IN HOT ALCOHOL, BENZENE, ETHER

Boiling Point154 °C AT 36 MM HG
Melting Point10.2 °C
Refractive IndexSADTLER REF NUMBER: 10657 (IR, PRISM); INDEX OF REFRACTION: 1.5565 AT 20 °C/D

물리화학적 성질

녹는점
10 °C · 10°C
끓는 점
254 °C · 254 °C(lit.)
밀도
1.32 g/mL · 1.320 g/mL at 25 °C(lit.)
굴절률
20 · n20/D >1.5580(lit.)
인화점
230 °F · >230 °F
저장 조건
Store under inert gas

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (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 정보

Hazards SummaryReacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1C (100%)；Eye Dam. 1 (76.9%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
HS 번호
2904100090
risk_code
34
hazard_code
C,Xi

화학 및 산업

용도 및 제조

Uses · 2건

Used as intermediate in the synthesis of saccharin and dyestuffs; [HSDB]

INTERMEDIATE IN SYNTHESIS OF SACCHARIN & DYESTUFFS

Methods of ManufacturingACTION OF CHLOROSULFONIC ACID ON TOLUENE.
General Manufacturing InformationBenzenesulfonyl chloride, 2-methyl-: ACTIVE

응용 분야

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

일반 설명o-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.

상·하류 제품 정보

공급사1 곳

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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