3-Nitrobenzyl alcohol

HCID 69267CAS 619-25-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1cccc(CO)c1
InChIKey
CWNPOQFCIIFQDM-UHFFFAOYSA-N
분자식
C7H7NO3
평균 분자량
153.14 g/mol
단동위원소 질량
153.04259309

이름 및 식별자

우선 이름
3-Nitrobenzyl alcohol
IUPAC
(3-nitrophenyl)methanol
영어명
3-Nitrobenzyl alcohol
분자식
C7H7NO3
분자량
153.14

이름 및 동의어

3-Nitrobenzyl alcohol619-25-0m-Nitrobenzyl alcoholBenzenemethanol, 3-nitro-3-NitrobenzenemethanolBenzyl alcohol, m-nitro-DTXSID0060698F829X990IVNSC-5388RefChem:504489DTXCID1043170210-588-2
이름 더 보기
NOBARARECHEM AL BD 0189m-nitro-benzylalcoho3-Nitrobenzylalkoholm-Nitrobenzenemethanol3-nitro-benzenemethano
(3-Nitrophenyl)methanol3-nitrobenzylalcoholMFCD00007273BRN 2044769(3-Nitro-phenyl)-methanolM-NITROPHENYLMETHANOLNITROBENZYL ALCOHOL, 3-M-(HYDROXYMETHYL)NITROBENZENE

데이터베이스 식별자

CAS
619-25-0
PubChem CID
69267
DTXSID
DTXSID0060698
ChEBI
CHEBI:191016
UNII
F829X990IV
EC Number
210-588-2
Nikkaji
J28.536F

물성

구조 계산 물성

XLogP
1.2
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Vapor Pressure0.0000858 [mmHg]
Physical DescriptionLiquid; mp = 30-32 deg C; [Sigma-Aldrich MSDS]
Kovats Retention Index1545

물리화학적 성질

녹는점
30 · 30-32 °C(lit.)
끓는 점
175 · 175-180 °C3 mm Hg(lit.)
밀도
1.29 g/mL · 1.29 g/mL at 20 °C(lit.)
굴절률
1.573 · 1.5730
인화점
230 °F · >230 °F
저장 조건
2 · Sealed in dry,2-8°C

화학적 성질

yellow to brown crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 7 reports by companies from 3 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 InformationBenzenemethanol, 3-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2A (85.7%)；Acute Tox. 4 (28.6%)；STOT SE 3 (85.7%)

규제 정보

Regulatory InformationBenzenemethanol, 3-nitro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DP0657000
HS 번호
29062900
risk_code
11-34
hazard_code
Xi,C,F

화학 및 산업

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzenemethanol, 3-nitro-: ACTIVE
응용 분야 · 2건

용도3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase. 3-Nitrobenzyl alcohol was employed as matrix during fast-atom bombardment mass spectrometry. It was used in isolation of palmitylated peptide fragment from bovine rhodopsin and its characterization by mass spectrometry. It has been used as a liquid matrix for fast atom bombardment[1] and matrix-assisted laser desorption ionization. In electrospray ionization 3-NBA is doped into low surface tension spray solvents to increase analyte charging.

일반 설명3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase.

상·하류 제품 정보

공급사50 곳

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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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