염화 o-톨루엔술폰산
o-Toluenesulfonyl chloride
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기본 정보
- CAS
133-59-5- 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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 217
실험 및 물리화학적 성질
Density1.3383 AT 20 °C/4 °C
Color/FormOILY LIQUID
Solubility
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
Physical DescriptionLiquid; [HSDB] Colorless or yellow liquid; [MSDSonline]
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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
화학 및 산업
용도 및 제조
Uses
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
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