CAS 31938-11-1 O-(triphenylmethyl)hydroxylamine (HCID 3015602)

기본 정보

CAS: 31938-11-1
표준 SMILES: NOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: NZFHJBSDSXDUAO-UHFFFAOYSA-N
분자식: C19H17NO
평균 분자량: 275.3 g/mol
단동위원소 질량: 275.13101417

이름 및 식별자

우선 이름: O-(triphenylmethyl)hydroxylamine
IUPAC: O-tritylhydroxylamine
영어명: O-TRITYLHYDROXYLAMINE
분자식: C19H17NO
분자량: 275.34

이름 및 동의어

31938-11-1O-(Triphenylmethyl)hydroxylamineEINECS 250-868-1DTXSID70185777RefChem:167114DTXCID10108268250-868-1O-TritylhydroxylamineTrityloxyamineHydroxylamine, O-(triphenylmethyl)-MFCD00042818Trt-HA

이름 더 보기

O-TritylhydroxylaMine 95%[[Triphenylmethyl]oxy]amineTrt-HA O-TritylhydroxylamineO-Tritylhydroxylamine(Trt-HA)O-Tritylhydroxylamine≥ 98%(HPLC)

o-trityl hydroxylamineO-trityl-hydroxylamine(Triphenylmethoxy)amineO-trityl -hydroxylamineoxy(triphenylmethyl)amineO-Tritylhydroxylamine, 95%SCHEMBL3161346LP55QN74E

데이터베이스 식별자

CAS: 31938-11-1
PubChem CID: 3015602
DTXSID: DTXSID70185777
ChEMBL: CHEMBL1214121
UNII: 6LP55QN74E
EC Number: 250-868-1
Nikkaji: J278.208A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 79 · 79-81 °C (lit.)
끓는 점: 443.2 · 443.2±44.0 °C(Predicted)
밀도: 1.133 · 1.133
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.1 · 3.10±0.70(Predicted)
색상: White to Orange to Green
BRN: 1983917 · 1983917
InChI: 1S/C19H17NO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
InChIKey: NZFHJBSDSXDUAO-UHFFFAOYSA-N
SMILES: NOC(c1ccccc1)(c2ccccc2)c3ccccc3

화학적 성질

White to off-white powder

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 (97.6%): 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 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
HS 번호: 2928.00.2500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
F 고인화성물질: 10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도O-Tritylhydroxylamine may be used in the preparation of 8-azido-O-trityloctahydroxamate and 9-azido-O-tritylnonahydroxamate. It may be used in the synthesis of Simian virus nuclear localization peptide (NLS)-histone deacetylase (HDAC) inhibitor conjugates.