N-succinimidyl bromoacetate

HCID 3565210

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 42014-51-7
표준 SMILES: O=C(CBr)ON1C(=O)CCC1=O
InChIKey: NKUZQMZWTZAPSN-UHFFFAOYSA-N
분자식: C6H6BrNO4
평균 분자량: 236.02 g/mol
단동위원소 질량: 234.94802

이름 및 식별자

우선 이름: N-succinimidyl bromoacetate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 2-bromoacetate
영어명: Bromoacetic acid N-hydroxysuccinimide ester
분자식: C6H6BrNO4
분자량: 236.02

이름 및 동의어

42014-51-7N-Succinimidyl bromoacetateU5PMU8UHL8DTXSID90194821RefChem:164210DTXCID301173122,5-Dioxopyrrolidin-1-yl 2-bromoacetateBromoacetic acid N-hydroxysuccinimide esterSBA Crosslinker1-[(Bromoacetyl)oxy]pyrrolidine-2,5-dioneC6H6BrNO4succinimidyl bromoacetate

이름 더 보기

NHS BROMOACETATEBromoacetic Acid NHS EsterBromoacetic Acid NHS EsterN-(Bromoacetoxy)succinimideN-Succinimidyl Bromoacetate >(SBA): Succinimidyl bromoacetate

MFCD00058571(2,5-dioxopyrrolidin-1-yl) 2-bromoacetateBromoacetic Acid N-Succinimidyl EsterBAANSSCHEMBL1094462-Bromoacetic Acid 2,5-Dioxo-1-pyrrolidinyl EsterGS-6096SY051341

데이터베이스 식별자

CAS: 42014-51-7
PubChem CID: 3565210
DTXSID: DTXSID90194821
UNII: U5PMU8UHL8
EC Number: 629-027-1
Nikkaji: J441.016E

물성

구조 계산 물성

XLogP: 0
극성 표면적: 63.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 224

물리화학적 성질

녹는점: 115 · 115-116°C
끓는 점: 291.7 · 291.7±42.0 °C(Predicted)
밀도: 1.85 · 1.85±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 25 mg/mL · 아세톤: 25mg/mL
물리적 상태: 가루
색상: 흰색에서 황백색까지
InChI: InChI=1S/C6H6BrNO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2
InChIKey: NKUZQMZWTZAPSN-UHFFFAOYSA-N
SMILES: C(ON1C(=O)CCC1=O)(=O)CBr

화학적 성질

White Solid

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 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 4 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.