11-BroMo-1-운데칸티올

11-Bromo-1-undecanethiol

HCID 21477418

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 116129-34-1
표준 SMILES: SCCCCCCCCCCCBr
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
분자식: C11H23BrS
평균 분자량: 267.27 g/mol
단동위원소 질량: 266.07038

이름 및 식별자

우선 이름: 11-Bromo-1-undecanethiol
IUPAC: 11-bromoundecane-1-thiol
현지명: 11-BroMo-1-운데칸티올
영어명: 11-BroMo-1-undecanethiol
분자식: C11H23BrS
분자량: 267.27

이름 및 동의어

11-Bromo-1-undecanethiolRefChem:437219631-223-711-Bromoundecane-1-thiol116129-34-11-Undecanethiol, 11-bromo-C11H23BrSSCHEMBL420348DTXSID0061440411-Bromo-1-undecanethiol, 99%MFCD12406810AS-79987

이름 더 보기

11-BroMo-1-운데칸티올11-Bromo-1-undecanethiol 99%

H37004F865529

데이터베이스 식별자

CAS: 116129-34-1
PubChem CID: 21477418
DTXSID: DTXSID00614404
EC Number: 631-223-7
Nikkaji: J1.075.420H

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 10
무거운 원자 수: 13
형식 전하: 0
복잡도: 86

물리화학적 성질

밀도: 1.128 g/mL · 1.128 g/mL at 25 °C
굴절률: 20 · n20/D1.501
저장 조건: -20 °C · -20°C
물리적 상태: liquid
InChI: 1S/C11H23BrS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
SMILES: SCCCCCCCCCCCBr

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 3334
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도BrUDT forms a protective SAM on gold nanoparticles, which can be potentially used in biomedical applications for the fabrication of in vivo sensors. It can also be mixed with dodecanethiol, which can be coated on gold nanoparticles for the synthesis of gasotransmitters.

일반 설명11-Bromo-1-undecanethiol (BrUDT) is a bromo-terminated alkanethiol that forms a self-assembled monolayer(SAM) on a variety of surfaces. It can modify the surface characteristics by forming a bond between the sulfur groups and surface atoms.