O-Benzylhydroxylamine (HCID 102313)

이름 및 식별자

우선 이름: O-Benzylhydroxylamine
IUPAC: O-benzylhydroxylamine
영어명: O-Benzylhydroxylamine
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

O-Benzylhydroxylamine622-33-3BenzyloxyamineHydroxylamine, o-(phenylmethyl)-O-(Phenylmethyl)hydroxylamineN3HX4J7ZPMDTXSID8073213RefChem:167149DTXCID5043263612-969-2O-benzyl-hydroxylamineMFCD00221709

이름 더 보기

BENZYLOXYAMINE HYDROCHLORIDEO-BENZYLHYDROXYLAMINE HCLSnr 1635AKOS B022277AURORA KA-7528AURORA KA-2549O-BenzyloxyamineBENZYLOXYAMINE HCL

Hydroxylamine, O-benzyl-[(Aminooxy)methyl]benzeneoxybenzylamineCHEMBL443652(Benzyloxy)aminebenzyloxylamineO-benzyloxylaminephenylmethoxyamine

데이터베이스 식별자

CAS: 622-33-3
PubChem CID: 102313
DTXSID: DTXSID8073213
ChEMBL: CHEMBL443652
UNII: N3HX4J7ZPM
EC Number: 612-969-2
Nikkaji: J45.679I

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 69

실험 및 물리화학적 성질

Physical DescriptionColorless to pale yellow liquid; [MSDSonline]

물리화학적 성질

녹는점: 238 °C · 238 °C (subl.)(lit.)
끓는 점: 110 · 110-112 °C (20 mmHg)
밀도: 1 · 1,058 g/cm3
증기압: 2.09 hPa · 2.09 hPa (58 °C)
굴절률: 1.541 · 1.5410
인화점: 118 · 118-119°C/30mm
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: 디메틸설폭사이드와 메탄올에 용해됩니다.
산도 계수 (pKa): 4.7 · 4.70±0.70(Predicted)
물리적 상태: 액체
색상: 무색의
수소이온지수(pH): 8 · 8 (47g/l, H2O)
BRN: 1906691 · 1906691
InChI: InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey: XYEOALKITRFCJJ-UHFFFAOYSA-N
SMILES: NOCC1=CC=CC=C1
EPA: Hydroxylamine, O-(phenylmethyl)- (622-33-3)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Skin Corr. 1B (13.3%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (88.9%)

안전 데이터

wgk: 3
rtecs: NC3040000
ridadr: 2735
HS 번호: 2928 00 90
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 22-24/25-45-26
포장분류: Ⅱ
위험 등급: 8
F 고인화성물질: 3
자연 발화 온도: 260 °C DIN 51794
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.