6-Bromohexanenitrile (HCID 81093)

이름 및 식별자

우선 이름: 6-Bromohexanenitrile
IUPAC: 6-bromohexanenitrile
영어명: 6-Bromohexanenitrile
분자식: C6H10BrN
분자량: 176.05

이름 및 동의어

6-Bromohexanenitrile6-BromohexanonitrileHexanenitrile, 6-bromo-T2AX3BGU9ZEINECS 229-570-0NSC 59712NSC-59712DTXSID9064421PHOSWLARCIBBJZ-UHFFFAOYSA-RefChem:104329DTXCID3044758InChI=1/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2

이름 더 보기

6-bromo-hexanenitril6-Bromocapronitrile,97%6-Bromohexanenitrile,97%6-Bromohexanenitrile,95%6-BROMOHEXANONITRILE FOR SYNTHESIS

PHOSWLARCIBBJZ-UHFFFAOYSA-N6621-59-66-Bromocapronitrile5-Bromopentyl cyanideMFCD00013834C6H10BrNNSC597126-Bromo-hexanenitrile

데이터베이스 식별자

CAS: 6621-59-6
PubChem CID: 81093
DTXSID: DTXSID9064421
UNII: T2AX3BGU9Z
EC Number: 229-570-0
Nikkaji: J149.967J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 81.8

물리화학적 성질

끓는 점: 134 °C/13 · 134 °C/13 mmHg (lit.)
밀도: 1.328 g/mL · 1.328 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.477(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 기름
색상: 무색
Specific Gravity: 1.328 · 1.328
BRN: 1744172 · 1744172
InChI: InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey: PHOSWLARCIBBJZ-UHFFFAOYSA-N
SMILES: C(#N)CCCCCBr
EPA: 6 · Hexanenitrile, 6-bromo- (6621-59-6)

화학적 성질

clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information6-Bromohexanonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3276
HS 번호: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationHexanenitrile, 6-bromo-: ACTIVE

응용 분야 · 2건

용도6-Bromohexanenitrile (6-Bromocapronitrile, 6-Bromohexanonitrile) is suitable reagent used in the synthesis of (5-cyanopentyl)zinc(II) bromide, an organozinc reagent. It may be used in the synthesis of the following:6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)hexanenitrile.dimethyl 6,6′-dithiobiscaproimidate, a long-chain dithiobisimidate.N-benzyloxy-(4-cyanopentyl)-carbamic acid ethyl ester, a N-benzyloxy carbamate derivative.1-hetarylsulfanyl-ω-cyanoalkanes.

일반 설명6-Bromohexanenitrile (6-Bromohexanonitrile) is an ω-bromoalkanonitrile. Friedel Crafts alkylation of 6-bromohexanenitrile with benzene has been studied.