1-Bromoheptane

HCID 12369CAS 629-04-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCBr
InChIKey
LSXKDWGTSHCFPP-UHFFFAOYSA-N
분자식
C7H15Br
평균 분자량
179.1 g/mol
단동위원소 질량
178.03571

이름 및 식별자

우선 이름
1-Bromoheptane
IUPAC
1-bromoheptane
현지명
n-헵틸브로마이드
영어명
1-Bromoheptane
분자식
C7H15Br
분자량
179.1

이름 및 동의어

1-BROMOHEPTANE629-04-9Heptyl bromiden-Heptyl bromideHeptane, 1-bromo-bromoheptane1-bromo-heptaneMFCD00000273BR10731-Bromo heptaneNSC 7315EINECS 211-068-8
이름 더 보기
1-브로모헵테인n-헵틸브로마이드1-브로모헵탄1-BromheptanHeptylbromidbromo heptane1-bromo-heptanHeptane broMideBromo-n-heptane
heptylbromide1bromoheptanebromo-heptanen-heptylbromide1-heptylbromidebromomethylhexane1 -bromoheptane1-Bromo-heptane; 1-Heptyl Bromide; Heptyl Bromide; NSC 7315; n-Heptyl Bromide

데이터베이스 식별자

CAS
629-04-9
PubChem CID
12369
DTXSID
DTXSID7022095
EC Number
211-068-8
Nikkaji
J523A

물성

구조 계산 물성

XLogP
4.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
5
무거운 원자 수
8

실험 및 물리화학적 성질

Vapor Pressure1.27 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 3건

1031；1067；1030；1027.6；1027

1036；1036.2；1018；1042；1061；1040；1029

1262；1266；1252；1262；1268；1282；1256

물리화학적 성질

녹는점
58 °C · −58 °C(lit.)
끓는 점
180 °C · 180 °C(lit.)
밀도
1.14 g/mL · 1.14 g/mL at 25 °C(lit.)
증기 밀도
6.18 · 6.18 (vs air)
굴절률
20 · n20/D 1.4499(lit.)
인화점
141 °F · 141 °F

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3건

Chemical: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 2,440 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See 2-Bromopentane.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (11.3%)；Eye Irrit. 2A (11.3%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 12,000 mg/m3/2hr

규제 정보

Regulatory Information · 3건

Chemical: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MI8100000
ridadr
UN 1993 3/PG 3
HS 번호
29033036
risk_code
36/37-36/37/38-20

화학 및 산업

용도 및 제조

General Manufacturing InformationHeptane, 1-bromo-: ACTIVE

응용 분야

용도1-bromoheptane is an important precursor material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

상·하류 제품 정보

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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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