파라-톨루엔설폰일 염화물

4-Toluenesulfonyl chloride

HCID 7397CAS 98-59-9

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)Cl)cc1
InChIKey
YYROPELSRYBVMQ-UHFFFAOYSA-N
분자식
C7H7ClO2S
평균 분자량
190.65 g/mol
단동위원소 질량
189.98552814

개요

P-toluene sulfonylchloride appears as a white to gray powdered solid with a distinctive odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

이름 및 식별자

우선 이름
4-Toluenesulfonyl chloride
IUPAC
4-methylbenzenesulfonyl chloride
현지명
파라-톨루엔설폰일 염화물
영어명
Tosyl chloride
분자식
C7H7ClO2S
분자량
190.65

이름 및 동의어

4-Toluenesulfonyl chlorideRefChem:169391P-TOLUENESULFONYL CHLORIDE98-59-9Tosyl chloride4-Methylbenzenesulfonyl chloridep-Tosyl chloride4-methylbenzene-1-sulfonyl chloridep-Toluenesulphonyl chloridep-Tolylsulfonyl chloridep-Toluenesulfochloridetosylchloride
이름 더 보기
4-메틸벤젠술폰일염화물4-메틸페닐술폰일염화물4-톨루엔술폰일염화물p-톨루엔술포닐클로라이드벤젠술폰일염화물,4-메틸-톨루엔술폰일염화물파라-메틸벤젠술폰일염화물파라-메틸페닐술폰일염화물파라-톨루엔설폰일염화물파라-톨루엔술포염화물파라-톨루엔술폰산염화물파라-톨루엔술폰일염화물파라-톨루엔설폰일염화물4-메틸벤젠설포닐 클로라이드4-메틸페닐설폰일 염화물4-토실 염화물벤젠설폰일 염화물, 4-메틸-톨루엔-4-설폰일 염화물톨루엔설폰일 염화물파라-메틸벤젠설폰일 염화물TsClTOS-CLPTSCPARA TOLUENE SULFONYL CHLORIDEp-toluenesulfonyl
p-Toluenesulfonic acid chloridep-Methylbenzenesulfonyl chloridepara-Toluenesulfonyl chloride4-Tosyl chlorideBenzenesulfonyl chloride, 4-methyl-4-toluene sulfonyl chloridep-Toluene sulphonyl chlorideToluenesulfonyl chloride

데이터베이스 식별자

CAS
98-59-9
PubChem CID
7397
DTXSID
DTXSID1052660
UNII
027KYN78B4
EC Number
202-684-8
Nikkaji
J3.580G

물성

구조 계산 물성

XLogP
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

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
LogP3.49
Density · 2건

1.3 g/cm³

1.33 @25 °C

Color/Form · 2건

CRYSTALS

TRICLINIC CRYSTALS FROM ETHER OR PETROLEUM ETHER

Solubility · 2건

INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER

Solubility in water: reaction

물리화학적 성질

녹는점
65 · 65-69 °C(lit.)
끓는 점
134 °C10 · 134 °C10 mm Hg(lit.)
밀도
1 · 1,006 g/cm3
증기압
1 mm · 1 mm Hg ( 88 °C)
인화점
128 °C · 128 °C
저장 조건
30 °C · Store below +30°C.

화학적 성질

White to yellow solid.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5.7% (53 of 926) of reports.

Danger

H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 926 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenesulfonyl chloride, 4-methyl-

Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13242

4-Toluenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire Hazards · 2건

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards Summary · 1건

A skin, eye, and respiratory tract irritant; [HSDB] Reacts violently with water evolving hydrochloric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] Slowly hydrolyzes to strong acids (HCl and p-toluenesulfonic acid); Severely irritating to skin and eyes in animal testing; [AIHA] Contact dermatitis documented in a chemist; [Kanerva, p. 1841]

Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Use dry powder, carbon dioxide. NO water. NO foam.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Safe StorageDry. Well closed. Store in an area without drain or sewer access.
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into containers. Carefully collect remainder. Then store and dispose of according to local regulations.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Signs and Symptoms · 4건

Cough.

Redness. Pain.

Redness. Pain.

Sore throat.

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Human Toxicity Excerpts · 3건

...PRODUCE SEVERE PRIMARY IRRITATION OF EYES, SKIN, OR RESP TRACT. DELAYED VESICATION IS NOT UNCOMMON. SENSITIZATION MAY ALSO OCCUR... /ACID HALIDES/

STRONG IRRITANT & VESICANT. /FROM TABLE/

WHILE CUMULATIVE TOXIC EFFECTS ARE THEORETICALLY POSSIBLE IF ORIGINAL ORG ACID IS ALSO KNOWN TO BE CUMULATIVE IN ACTION...IRRITANT PROPERTIES OF THE HALIDE PREVENT VOLUNTARY EXPOSURE TO SIGNIFICANT AMOUNTS... /ACID HALIDES/

Non-Human Toxicity Excerpts · 1건

REMSEN FAHLBERG SACCHARIN & ITS CONTAMINANTS (O-TOLUENE SULFONAMIDE (OTS), P-TOLUENE SULFONAMIDE (PTS), O-SULFAMOYL BENZOIC ACID, P-SULFAMOYL BENZOIC ACID) WERE TESTED FOR MUTAGENICITY. CONTAMINANTS OTS & ITS ISOMER PTS WERE MUTAGENIC IN AMES TEST & BASC TEST IN DROSOPHILA.

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
독성
LD50 orally in Rabbit: 4680 mg/kg
HS 번호
29049020
risk_code
34-29-41-38

화학 및 산업

용도 및 제조

Uses · 2건

Used to make other organic chemicals; [Hawley] Used to make food additives, foaming agents for plastics and rubber, riboflavin, antithrombotic drugs, and dye condensing agents; [eChemPortal: SIDSUNEP]

ORGANIC SYNTHESIS

Methods of ManufacturingMADE BY TREATING TOLUENE WITH CHLOROSULFONIC ACID.
General Manufacturing Information · 2건

Benzenesulfonyl chloride, 4-methyl-: ACTIVE

10 OF 16 MERCURATED SULFONAMIDES TESTED AS BACTERICIDES & FUNGICIDES AGAINST E COLI, RHIZOCTONIA SOLANI, S AUREUS, A NIGER, & CHETOMIUM GLOBOSSUM WERE MORE TOXIC THAN ZINEB. SULFONAMIDES PREPD BY CONDENSING ANILINE BASE WITH P-TOLUENESULFONYL CHLORIDE IN PRESENCE OF PYRIDINE + BENZENE.

응용 분야

일반 설명Tosyl chloride is a white to gray powdered solid with a distinctive odor. It can be used in organic synthesis, to make nitriles, isocyanides and diimides.

제조 방법 · 1건

Tosyl chloride is a by-product from the production of ortho-toluenesulfonyl chloride (a precursor for the synthesis of the common food additive and catalyst saccharin), via the chlorosulfonation of toluene:CH3C6H5+ SO2Cl2→ CH3C6H4SO2Cl + HCl

공급사50 곳

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