(E,E)-Farnesyl chloride

HCID 6003397CAS 67023-84-1

기본 정보

표준 SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCl
InChIKey: BJVUJIDTICYHLL-YFVJMOTDSA-N
분자식: C15H25Cl
평균 분자량: 240.81 g/mol
단동위원소 질량: 240.16447848

이름 및 식별자

우선 이름: (E,E)-Farnesyl chloride
IUPAC: (2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
영어명: TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE
분자식: C15H25Cl
분자량: 240.81

이름 및 동의어

67023-84-1(E,E)-Farnesyl chlorideRefChem:210456trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatrienetrans,trans-Farnesyl chloride(2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene2,6,10-Dodecatriene, 1-chloro-3,7,11-trimethyl-, (2E,6E)-(E,E)-Farnesyl Chloride; (2E,6E)-1-Chloro-3,7,11-trimethyldodeca-2,6,10-triene;C15H25ClSCHEMBL2770760DTXSID601313440trans,trans-Farnesyl chloride, 97%

이름 더 보기

trans,trans-Farnesyl chloride 97%TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE ISO 9001：2015 REACH

(6E,10E)-12-CHLORO-2,6,10-TRIMETHYLDODECA-2,6,10-TRIENEMFCD00192172AKOS015915281BS-24496G78058(E,E)-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene(2E,6E)-1-chloro-3,7,11-trimethyl-dodeca-2,6,10-triene

데이터베이스 식별자

CAS: 67023-84-1
PubChem CID: 6003397
DTXSID: DTXSID601313440
EC Number: 806-285-5
Nikkaji: J509.162D

물성

구조 계산 물성

XLogP: 6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 265

물리화학적 성질

끓는 점: 59 · 59-60 °C/2.4 mmHg (lit.)
밀도: 0.916 g/mL · 0.916 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.493(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
InChI: 1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey: BJVUJIDTICYHLL-YFVJMOTDSA-N
SMILES: [H]\C(CCl)=C(\C)CC\C([H])=C(/C)CC\C([H])=C(/C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.