Dibenzo[b,e]thiepin-11(6H)-one

HCID 73741

기본 정보

CAS
1531-77-7
표준 SMILES
O=C1c2ccccc2CSc2ccccc21
InChIKey
JGJDEWXZEIHBNW-UHFFFAOYSA-N
분자식
C14H10OS
평균 분자량
226.3 g/mol
단동위원소 질량
226.04523611

이름 및 식별자

우선 이름
Dibenzo[b,e]thiepin-11(6H)-one
IUPAC
6H-benzo[c][1]benzothiepin-11-one
영어명
Dibenzo[b,e]thiepin-11(6H)-one
분자식
C14H10OS
분자량
226.29

이름 및 동의어

Dibenzo[b,e]thiepin-11(6H)-one1531-77-7Dibenzo(b,e)thiepin-11(6H)-oneEINECS 216-241-1DTXSID50165219RefChem:132818DTXCID7087710216-241-16,11-Dihydrodibenzo[b,e]thiepin-11-oneHomothioxanthone6H-benzo[c][1]benzothiepin-11-oneMFCD02093738
이름 더 보기
DothiepinoneDosulepin Impurity BDothiepin EP Impurity BDosulepin EP Impurity BMercaptopurine Impurity 9-13C211-Oxo-6,11-dihydrodibenzo thiepin
6,11-Dihydrodibenzo(b,e)thiepin-11-oneAS-50240SY037757O11519EN300-6759325Dibenz[b,e]thiepin-11(6H)-oneDosulepin Hydrochloride Imp. B (EP); Dosulepin Imp. B (EP); Dibenzo[b,e]thiepin-11(6H)-one; Dosulepin Hydrochloride Impurity B; Dosulepin Impurity B1-Oxo-6,11-dihydrodibenzo[b,e]thiepin

데이터베이스 식별자

CAS
1531-77-7
PubChem CID
73741
DTXSID
DTXSID50165219
UNII
6U28WH7DFM
EC Number
216-241-1
Nikkaji
J206.753F

물성

구조 계산 물성

XLogP
3.5
극성 표면적
42.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
16

물리화학적 성질

녹는점
86 · 86-88 °C(lit.)
끓는 점
175 · 175-180°C 1mm
밀도
1.1989 · 1.1989 (rough estimate)
굴절률
1.57 · 1.5700 (estimate)
인화점
175 · 175-180°C/1mm
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (4 of 12) of reports.

Warning

H315 (58.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (58.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 12 reports by companies.;There are 5 notifications provided by 8 of 12 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 19-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21040
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%);Eye Irrit. 2A (58.3%);STOT SE 3 (50%)

규제 정보

Regulatory InformationStatus: Active Update: 19-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21040

안전 데이터

wgk
3
HS 번호
2930.90.2900
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Homothioxanthone is used to inhibit dengue virus replication.

일반 설명6,11-Dihydrodibenzo[b,e]thiepin-11-one is an organic building block. Its density is 1.2151g/ml at 25°C.

공급사93 곳

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]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]

관련 반응

8건

화합물 노트

불러오는 중…