p-Toluenesulfonic acid monohydrate (HCID 521998)

이름 및 식별자

우선 이름: p-Toluenesulfonic acid monohydrate
IUPAC: 4-methylbenzenesulfonic acid;hydrate
현지명: p-토루엔 술폰산 일수화물
영어명: p-Toluenesulfonic acid monohydrate
분자식: C7H10O4S
분자량: 190.22

이름 및 동의어

p-Toluenesulfonic acid monohydrate6192-52-54-methylbenzenesulfonic acid hydrateBenzenesulfonic acid, 4-methyl-, monohydrate4-toluenesulfonic acid monohydrateDTXSID50443163BTO78GAFFDTXCID3024316RefChem:169388612-715-04-Methylbenzenesulfonic acid monohydratep-Toluenesulphonic acid monohydrate

이름 더 보기

p-토루엔술폰산일수화물P-톨루엔술폰산,모노수화물벤젠술폰산,4-메틸-,모노수화물파라-톨루엔설폰산,모노수화물파라-톨루엔설폰산,모노수화물(PARA-TOLUENESULFONICACID,MONOHYDRATE)PTSATOLUENE-4-SULFONIC ACIDTSOH.H2OPTSA.H2OPTXTOLUENESULFONIC ACID MONOHYDRATETOLUENE-4-SULFONIC ACID MONOHYDRATEPTSA Monohydrate

p-Toluene sulfonic acid monohydrate4-methylbenzene-1-sulfonic acid hydrate4-methylbenzenesulfonic acid;hydratepara-toluenesulfonic acid monohydrateMFCD00142137p-toluenesulfonic acid hydrateC7H10O4S4-methylbenzenesulphonic acid hydrate

데이터베이스 식별자

CAS: 6192-52-5
PubChem CID: 521998
DTXSID: DTXSID5044316
ChEMBL: CHEMBL3183883
UNII: 3BTO78GAFF
EC Number: 612-715-0、695-067-1、953-847-1

물성

구조 계산 물성

극성 표면적: 63.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 206

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives

Melting Point107 °C

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 96 · 96-99 °C(lit.)
끓는 점: 140 °C · 140°C 20mm
밀도: 1 · 1,24 g/cm3
증기 밀도: 5.9 · 5.9 (vs air)
굴절률: 1 · 1,382-1,384
인화점: 180 °C · 180 °C
저장 조건: 5 °C · Store at +5°C to +30°C.
용해도: 2 O: · H2O: 0.1 g/mL, 투명
물리적 상태: 고체
색상: 흰색에서 분홍색으로
수소이온지수(pH): 1 · 1 (650g/l, H2O, 20℃)(anhydrous substance)
수용성: 녹는
Merck: 14 · 14,9533
BRN: 3568023 · 3568023
안정성: 안정적인. 강한 산화제, 강한 염기, 대부분의 일반적인 금속과 호환되지 않습니다. 습기로부터 보호하십시오.
InChI: 1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
InChIKey: KJIFKLIQANRMOU-UHFFFAOYSA-N
SMILES: [H]O[H].Cc1ccc(cc1)S(O)(=O)=O
EPA: 4 · Benzenesulfonic acid, 4-methyl-, monohydrate (6192-52-5)

화학적 성질

White crystals

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (20.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 924 reports by companies from 39 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 2건

Chemical: Benzenesulfonic acid, 4-methyl-, monohydrate

Toluene-4-sulphonic acid, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards Summary · 1건

Causes skin burns and corneal damage; Causes effects on transaminases in acute inhalation studies of rats; Causes somnolence and effects on food intake in oral lethal-dose studies of rats and mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See p-Toluenesulfonic acid.

Hazard Classes and Categories · 3건

Skin Corr. 1C (20.5%)

Skin Irrit. 2 (100%)

Acute Tox. 4 (100%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

4.2 [mg/m3]

47 [mg/m3]

280 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: -
tsca: Yes
rtecs: XT6300000
ridadr: UN 2585 8/PG 3
독성: LD50 orally in Rabbit: 2570 mg/kg
HS 번호: 29041000
risk_code: 36/37/38-34-37
hazard_code: Xi,C
safety_code: 26-37-45-36/37/39
포장분류: III
위험 등급: 8
F 고인화성물질: 3
자연 발화 온도: 600 °C
Hazard Classifications: Eye Irrit. 2Met. Corr. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도p-Toluenesulfonic acid monohydrate is used as a catalyst in the synthesis of resveratrol, in oxane derivatives as an antimalarial agent, as substituted piperidine and unsymmetrical benzyl. It acts as a catalyst in the preparation of 1,3,5-trisubstituted pyrazoles derivatives, selenated ketene dithioacetals, triazoloquinazolinone and benzimidazoquinazolinone derivatives. It also serves as an intermediate in the esterification and in reductive amination reactions.

일반 설명p-Toluenesulfonic acid monohydrate, an oxonium salt, is an inexpensive and easy to handle organic catalyst used in organic synthesis. The study of its crystalline structure shows that it is monoclinic with P21/c space group. Its solubility in aqueous sulfuric acid solutions has been studied.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东艾利特生物科技有限公司0539-18853986-090 13053958157 · [email protected]

武汉问津化学科技有限公司13517196568 · [email protected]

연결된 노트

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p-토루엔 술폰산 일수화물

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