2-Nitrobenzyl alcohol (HCID 11923)

이름 및 식별자

우선 이름: 2-Nitrobenzyl alcohol
IUPAC: (2-nitrophenyl)methanol
영어명: 2-Nitrobenzyl alcohol
분자식: C7H7NO3
분자량: 153.14

이름 및 동의어

2-Nitrobenzyl alcohol612-25-9O-NITROBENZYL ALCOHOL2-NitrobenzenemethanolBenzyl alcohol, o-nitro-5M66390M78NSC-66512DTXSID40210101RefChem:477197DTXCID00132592210-302-6(2-Nitrophenyl)methanol

이름 더 보기

oNBAIcRARECHEM AL BD 01862-Nitrobenzyalcoholo-nitro-benzylalcohoO-NITROPHENYLCARBINOLLABOTEST-BB LT01997457

Benzenemethanol, 2-nitro-Benzenemethanol, nitro-2-nitrobenzylalcoholMFCD00007186CCRIS 7967EINECS 210-302-6NSC 66512o-nitro benzylalcohol

데이터베이스 식별자

CAS: 612-25-9
PubChem CID: 11923
DTXSID: DTXSID40210101
ChEMBL: CHEMBL369485
UNII: 5M66390M78
EC Number: 210-302-6
Nikkaji: J28.537D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 143

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

LogP1.24

Vapor Pressure0.0000858 [mmHg]

Physical DescriptionCream powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 69 · 69-72 °C(lit.)
끓는 점: 270 °C · 270 °C(lit.)
밀도: 1.3386 · 1.3386 (rough estimate)
굴절률: 1.503 · 1.5030 (estimate)
인화점: 168 °C/20mm · 168°C/20mm
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 13.77 · 13.77±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 베이지~베이지 브라운
수용성: 5000 mg/L · 물 5000 mg/L 섭씨 20도에 용해됩니다.
BRN: 2046649 · 2046649
InChI: 1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKey: BWRBVBFLFQKBPT-UHFFFAOYSA-N
SMILES: OCc1ccccc1[N+]([O-])=O
NIST: 2 · Benzenemethanol, 2-nitro-(612-25-9)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzenemethanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Nitrobenzene. See Benzyl alcohol.

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: 3
rtecs: DP0657050
ridadr: UN 2811 6.1/PG 3
HS 번호: 29062900
risk_code: 11-34
hazard_code: Xi,C,F
safety_code: 22-24/25-45-36/37/39-26-16
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도The o-nitrobenzyl group (o-NB) is utilized frequently in polymer and materials science. It covers the use of based cross-linkers for photodegradable hydrogels, o-NB side chain functionalization in (block) copolymers, o-NB side chain functionalization for thin film patterning, o-NB for self-assembled monolayers, photo cleavable block copolymers, and photo cleavable bioconjugates.