5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-

HCID 14587CAS 1210-33-9

기본 정보

표준 SMILES: ClC1c2ccccc2CCc2ccccc21
InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N
분자식: C15H13Cl
평균 분자량: 228.71 g/mol
단동위원소 질량: 228.0705781

이름 및 식별자

우선 이름: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-chloro-
IUPAC: 2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
영어명: Dibenzosuberyl chloride
분자식: C15H13Cl
분자량: 228.72

이름 및 동의어

5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cyclohepteneEINECS 214-910-2BRN 0612280NSC 861545H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CHLORO-5-Chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene4-05-00-02198 (Beilstein Handbook Reference)DTXSID20153103RefChem:538278DTXCID80755945H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro-(8CI)5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro-(8CI)(9CI)

이름 더 보기

5-CHLOROBENZOSUBERANE5-DibenzosuberylChlorideDibenzosuberylChloride>5-Chlorodibenzosuberane 96%5-Chloro-2,3:6,7-dibenzosuberaned)cycloheptene,10,11-dihydro-5-chloro-5h-dibenzo(10,11-Dihydro-5-chloro-5H-dibenzo[a,d]cycloheptene

214-910-21210-33-9Dibenzosuberyl chloride5-Chlorodibenzosuberane5-chloro-10,11-dihydro-5H-dibenzo[a,d][7]annuleneMFCD000035925H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

데이터베이스 식별자

CAS: 1210-33-9
PubChem CID: 14587
DTXSID: DTXSID20153103
EC Number: 214-910-2
Nikkaji: J1.763I

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 214

물리화학적 성질

녹는점: 106 · 106-107 °C (lit.)
끓는 점: 321.7 · 321.7±31.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
색상: 미색부터 페일 베이지까지
BRN: 612280 · 612280
안정성: 감광성
InChI: InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C(Cl)C1=CC=CC=C1CC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.