Iminodibenyl (HCID 10308)

이름 및 식별자

우선 이름: Iminodibenyl
IUPAC: 6,11-dihydro-5H-benzo[b][1]benzazepine
현지명: 10,11-다이하이드로-5H-다이벤지[b,f]아제핀
영어명: Iminodibenzyl
분자식: C14H13N
분자량: 195.26

이름 및 동의어

Iminodibenzyl494-19-910,11-Dihydro-5H-dibenzo[b,f]azepine10,11-Dihydro-5H-dibenz[b,f]azepineIminobibenzyl2,2'-Iminodibenzyl2,2'-IminobibenzylIminodibenyl5H-Dibenz[b,f]azepine, 10,11-dihydro-10,11-Dihydrodibenz(b,f)azepineNSC 72110RP 23669

이름 더 보기

10,11-다이하이드로-5H-다이벤지[b,f]아제핀IMIDODIBENZYLlminodibenzylIminodibenzyyl

10,11-Dihydro-5-dibenz(b,f)azepineDTXSID80494145H-Dibenz(b,f)azepine, 10,11-dihydro-EINECS 207-787-110,11-Dihydro-5H-dibenz(b,f)azepineBRN 0152732262BX7OE3UDTXCID7029374

데이터베이스 식별자

CAS: 494-19-9
PubChem CID: 10308
DTXSID: DTXSID8049414
ChEMBL: CHEMBL63054
UNII: 262BX7OE3U
EC Number: 207-787-1
Nikkaji: J24.600J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 191

실험 및 물리화학적 성질

Kovats Retention Index1931；1931；1931；1980；1931

물리화학적 성질

녹는점: 105 · 105-108 °C (lit.)
끓는 점: 321.94 °C · 321.94°C (rough estimate)
밀도: 1.0778 · 1.0778 (rough estimate)
굴절률: 1.6353 · 1.6353 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 아세트산에틸(약간 용해됨, 가열), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 0.83 · 0.83±0.20(Predicted)
색상: 노란색에서 베이지색
BRN: 152732 · 152732
InChI: InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChIKey: ZSMRRZONCYIFNB-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2CCC2=CC=CC=C12
LogP: 4.27 · 4.27
NIST: 5 H-Dibenz[b,f]azepine, · 5H-Dibenz[b,f]azepine, 10,11-dihydro-(494-19-9)
EPA: 5 H-Dibenz[b,f]azepine, · 5H-Dibenz[b,f]azepine, 10,11-dihydro- (494-19-9)

화학적 성질

YELLOWISH TO BEIGE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

Warning

H317 (37.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (62.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 67 reports by companies.；There are 6 notifications provided by 66 of 67 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 Information · 2건

Status: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21937；Status: Active Update: 29-07-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1710

5H-Dibenzb,fazepine, 10,11-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (37.3%)；Eye Irrit. 2A (62.7%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21937；Status: Active Update: 29-07-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1710

5H-Dibenzb,fazepine, 10,11-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: HN8950000
HS 번호: 29339930
risk_code: 36-36/37/38
hazard_code: Xi
safety_code: 22-24/25-39-26-36/37/39-27
위험 등급: IRRITANT
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information5H-Dibenz[b,f]azepine, 10,11-dihydro-: ACTIVE

응용 분야 · 3건

개요Iminodibenzyl was not a new drug. It had been discovered in 1898 and used briefly as an intermediate, in the preparation of Sky Blue, a dye stuff. Iminodibenzyl, however, had a tricyclic ring structure, similar in appearance to the phenothiazines. Iminodibenzyl is an important drug intermediate, which can be used for the medicine synthesis as a tristimania and epilepsia.

용도10,11-Dihydro-5H-dibenzo[b,f]azepine is a metabolite of the tricyclic antidepressant, Imipramine (I465980). 10,11-Dihydro-5H-dibenzo[b,f]azepine can be used as a chromogenic probe for the quantification of hydrogen peroxide and glucose.

일반 설명Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

제조 방법

Iminodibenzyl is obtained from o-nitrotoluene by condensation, reduction and cyclization.

상·하류 제품 정보

상류 원료

니트로톨루엔 1-Propanone, 1-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-5-아세틸이미노디벤질99 트리에틸보란 메틸 T-뷰틸에테르

하류 제품

트리미프라민 5H-디벤즈[b,f]아제핀-10,11-디온 9-Methylacridine Ethanone, 2-bromo-1-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-N-Benzyl-3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-Methylpropan-1-aMine 10,11-디하이드로-5H-디벤조[b,f]아제핀-3-아민

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]

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

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

연결된 노트

불러오는 중…

10,11-다이하이드로-5H-다이벤지[b,f]아제핀

기본 정보