4-톨루엔술포닐 시안

p-Toluenesulphonyl cyanide

HCID 87946

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19158-51-1
표준 SMILES: Cc1ccc(S(=O)(=O)C#N)cc1
InChIKey: JONIMGVUGJVFQD-UHFFFAOYSA-N
분자식: C8H7NO2S
평균 분자량: 181.21 g/mol
단동위원소 질량: 181.01974946

이름 및 식별자

우선 이름: p-Toluenesulphonyl cyanide
IUPAC: (4-methylphenyl)sulfonylformonitrile
현지명: 4-톨루엔술포닐 시안
영어명: Tosyl cyanide
분자식: C8H7NO2S
분자량: 181.21

이름 및 동의어

19158-51-14-Methylbenzenesulfonyl cyanidep-Toluenesulphonyl cyanideEINECS 242-849-1DTXSID50172685RefChem:858218DTXCID0095176242-849-1Tosyl cyanidep-Toluenesulfonyl cyanide(4-methylphenyl)sulfonylformonitrileBenzenesulfonyl cyanide, 4-methyl-

이름 더 보기

4-톨루엔술포닐시안4-톨루엔술포닐시안TsCNBenzenesulfonylcyanide, 4-Methyl-Tos-CNosyl cyanidep-Tosyl cyanide

p-Tolylsulfonyl cyanide4-toluenesulfonyl cyanide4-methylbenzene-1-sulfonyl cyanidep-tolylsulfonylformonitrileMFCD00009977p-toluene sulfonyl cyanideTosyl Cyanide (>90%)4-tolylsulfonylcyanide; tosyl cyanide; 4-Methylbenzenesulfonyl cyanide; p-Toluenesulfonyl cyanide;

데이터베이스 식별자

CAS: 19158-51-1
PubChem CID: 87946
DTXSID: DTXSID50172685
EC Number: 242-849-1
Nikkaji: J224.867K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 66.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 47 · 47-50 °C (lit.)
끓는 점: 105 · 105-106 °C/1 mmHg (lit.)
밀도: 1.3055 · 1.3055 (rough estimate)
굴절률: 1.565 · 1.5650 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate
물리적 상태: 결정질 고체
색상: 하얀색
BRN: 2048159 · 2048159
안정성: 흡습성, 수분 민감성
InChI: InChI=1S/C8H7NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,1H3
InChIKey: JONIMGVUGJVFQD-UHFFFAOYSA-N
SMILES: C1(S(C#N)(=O)=O)=CC=C(C)C=C1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

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

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 2930909899
risk_code: 20/21-34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-24847
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도Tosyl cyanide is used in a free-radical cyanation of B-alkylcatecholboranes. Also used as a component in a hetero-Diels-Alder reaction with 1,3-bis-silyl enol ethers leading to 4-hyroxypyridines.

일반 설명p-Toluenesulfonyl cyanide is an electron-deficient nitrile. It undergoes hetero-Diels-Alder reaction with silyl enol ether of cyclohexenone to yield hydrolytically sensitive [4+2] adduct. It also undergoes facile [2+3] cycloaddition reaction with azides to form 5-sulfonyl tetrazoles. p-Toluenesulfonyl cyanide also reacts with alcohols in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) or 1,4-diazabicyclo[2.2.2]octane (DABCO) to yield sulfinates.

상·하류 제품 정보

하류 제품

(+/-)-2-아자비사이클로(2.2.1)헵트-5-EN-3-one 메틸3-시아노-4-메틸벤조에이트 tert-부틸3-시아노모르폴린-4-카르복실레이트 5-케토헥산니트릴 2-푸로일아세토니트릴 2-Bromothiophene-3-carbonitrile 3-Bromothiophene-2-carbonitrile 1-Adamantanecarbonitrile 4-클로로-7H-피롤로[2,3-d]피리미딘-5-카르보니트릴 (1R,2S,5R)-(-)-멘틸(S)-P-톨루엔술피네이트 4-시아노사이클로헥사논고리형에틸렌아세탈 1-N-Boc-3-시아노피롤리딘

공급사100 곳

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

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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