Benzoyl isothiocyanate (HCID 68284)

이름 및 식별자

우선 이름: Benzoyl isothiocyanate
IUPAC: benzoyl isothiocyanate
영어명: Benzoyl isothiocyanate
분자식: C8H5NOS
분자량: 163.2

이름 및 동의어

Benzoyl isothiocyanate532-55-8Benzoylthiocarbimiden-benzoyl isothiocyanateBenzoic acid, anhydride with HNCSBenzoic acid, anhydride with isothiocyanic acidUNII-U8J7Q32B86U8J7Q32B86EINECS 208-540-0NSC 29259NSC-29259DTXSID00201257

이름 더 보기

BenzoylisothiocyanteBenzoylisothiocyanatEpinastine Impurity 29N-BENZOYLISOTHIOCYANATEBenzoylIsothiocyanate>Benzoyl isothiocyate, 98%Chloropyramine Impurity 3

BENZOYL ISOTHIOCYANATE [MI]ISOTHIOCYANIC ACID, ANHYDRIDE WITH BENZOIC ACIDRefChem:118782DTXCID00123748208-540-0CPEKAXYCDKETEN-UHFFFAOYSA-NBenzoylisothiocyanateIsothiocyanic Acid Benzoyl Ester

데이터베이스 식별자

CAS: 532-55-8
PubChem CID: 68284
DTXSID: DTXSID00201257
UNII: U8J7Q32B86
EC Number: 208-540-0
Nikkaji: J6.990F

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 61.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 190

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 128 °C · 128 °C
끓는 점: 128 · 128-131 °C/15 mmHg (lit.)
밀도: 1.214 g/mL · 1.214 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.6354(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: 액체
색상: 투명한 노란색에서 주황색 갈색까지
Specific Gravity: 1.214 · 1.214
수용성: 거의 불용성
Merck: 14 · 14,1114
BRN: 606716 · 606716
InChI: 1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey: CPEKAXYCDKETEN-UHFFFAOYSA-N
SMILES: O=C(N=C=S)c1ccccc1
NIST: Benzoyl isothiocyanate(532-55-8)

화학적 성질

CLEAR YELLOW TO ORANGE-BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (87.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzoyl isothiocyanate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (87.8%)

안전 데이터

wgk: 3
tsca: T
ridadr: UN 2810 6.1/PG 3
HS 번호: 29309070
risk_code: 25-32-36-43-42/43-36/37/38-20/21/22
hazard_code: T,Xi
safety_code: 26-36/37-45-36/37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Benzoyl isothiocyanate has been used in the preparation of:1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivativeguanine

상·하류 제품 정보

상류 원료

Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-, 1-benzoate 4-Biphenylcarbonyl chloride

하류 제품

1-(4-Hydroxyphenyl)-2-thiourea 1-(4-Acetylphenyl)-2-thiourea (4-Carboxyphenyl)thiourea N-시아노벤즈아미드 2-하이드록시-5-티오우레이도-벤조산 N-Benzoyl-N'-(5-quinolinyl)thiourea N-[3,4-Dihydro-1(2H)-quinolinylcarbothioyl]benzenecarboxamide N-(cyclohexylcarbamothioyl)benzamide 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea N-벤조일-N'-[3-(트리플루오로메틸)페닐]티오우레아 N-[[[1-메틸-1-(히드록시메틸)에틸]아미노]티오카르보닐]벤즈아미드 N-benzoyl-N'-(4-fluorophenyl)thiourea

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

연결된 노트

불러오는 중…

Benzoyl isothiocyanate

기본 정보