4-Bromothiophenol (HCID 66049)

이름 및 식별자

우선 이름: 4-Bromothiophenol
IUPAC: 4-bromobenzenethiol
영어명: 4-Bromothiophenol
분자식: C6H5BrS
분자량: 189.07

이름 및 동의어

4-Bromothiophenol4-Bromobenzenethiol106-53-6p-Bromobenzenethiolp-BromothiophenolBenzenethiol, 4-bromo-p-Bromophenyl thiolBenzenethiol, p-bromo-P3WUO03X17NSC-32018NSC-229563DTXSID8059340

이름 더 보기

4-Bromophenylthiol4-bromo-benzenethio4-Bromothiophenol 97%4-Bromothiophenol,98%4-Bromothiophenol,95%

RefChem:98227DTXCID5032995203-407-34-bromobenzene-1-thiolMFCD000048454-Bromo-benzenethiol4-bromo thiophenolUNII-P3WUO03X17

데이터베이스 식별자

CAS: 106-53-6
PubChem CID: 66049
DTXSID: DTXSID8059340
ChEMBL: CHEMBL278240
UNII: P3WUO03X17
EC Number: 203-407-3
Nikkaji: J365D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 73 · 73-76 °C (lit.)
끓는 점: 239 °C · 239 °C (lit.)
밀도: 1.526 · 1.5260
인화점: 239 °C · 239°C
저장 조건: Inert atmosphere,Room Temperature
수용성: 물에 약간 용해됨
산도 계수 (pKa): 6.08 · 6.08±0.10(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 흰색에서 베이지색
BRN: 507031 · 507031
InChI: 1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: FTBCOQFMQSTCQQ-UHFFFAOYSA-N
SMILES: Sc1ccc(Br)cc1
NIST: 4 · Benzenethiol, 4-bromo-(106-53-6)
EPA: 4 · Benzenethiol, 4-bromo- (106-53-6)

화학적 성질

White to beige Crystalline powder or crystals, slightly soluble in water. Air sensitive, strongly irritating to eyes, respiratory system and skin.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (16%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2923
HS 번호: 29309070
risk_code: 36/37/38
hazard_code: Xi,T,C
safety_code: 26-36
포장분류: III
위험 등급: 8
F 고인화성물질: 10-13-23
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenethiol, 4-bromo-: ACTIVE

응용 분야

용도4-Bromothiophenol is a reagent used in the synthesis of indolyl-3-ehtanone-α-thioethers which act as non-toxic antimalrial agents. These compounds show anti-malarial activity, with no toxicity to a HeLa cell line.

상·하류 제품 정보

상류 원료

하류 제품

1-브로모-4-(메틸설포닐)-2-니트로벤젠 1-(5-BROMO-1-BENZOTHIEN-3-YL)에타논 4H-AMINO-6-BROMO-2,3-DIHYDROTHIOCHROMEN-1,1-DIOXIDE 5-Bromobenzo[c]thiophene 4-(메틸티오)페닐보론산 (5-브로모-3-벤조[B]티에닐)메탄올 1-벤조티오펜-5-카르보니트릴 1-벤조티오펜-5-카르복실산 6-bromo-2,3-dihydrothiochromen-1,1-dioxide-4-one BENZO[B]THIOPHEN-5-YL-5-BORONIC ACID 5-BROMOBENZO[B]THIOPHENE-3-CARBOXYLIC ACID 4-Hydroxy-6-bromo-2,3-dihydrothiochromen-1,1-dioxide

공급사50 곳

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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Syntechem Co.,Ltd[email protected]

연결된 노트

불러오는 중…

4-Bromothiophenol

기본 정보