기본 정보
- CAS
2687-43-6- 표준 SMILES
Cl.NOCc1ccccc1- InChIKey
HYDZPXNVHXJHBG-UHFFFAOYSA-N- 분자식
- C7H10ClNO
- 평균 분자량
- 159.61 g/mol
- 단동위원소 질량
- 159.04509162
이름 및 식별자
- 우선 이름
- Benzyloxyamine hydrochloride
- IUPAC
- O-benzylhydroxylamine;hydrochloride
- 영어명
- O-Benzylhydroxylamine hydrochloride
- 분자식
- C7H10ClNO
- 분자량
- 159.61
이름 및 동의어
Benzyloxyamine hydrochlorideRefChem:167150O-Benzylhydroxylamine hydrochloride2687-43-6benzylhydroxylamine hydrochlorideO-Benzylhydroxylamine HClMFCD00012952O-Benzyl-hydroxylamine hydrochlorideO-benzylhydroxylamine;hydrochlorideHydroxylamine, O-(phenylmethyl)-, hydrochlorideHydroxylamine, O-benzyl-, hydrochlorideEINECS 220-249-0
이름 더 보기
O-BenzyLBENZYLOXYAMINEO-Benzyloxyamine hydrochlorideBzHA.HClBENZYLOXYAMINE HCLTIMTEC-BB SBB003971α-benzylhydroxylmine
O-Benzylhydroxylamine (hydrochloride)BnONH2HClBnONH2-HClSCHEMBL1289370-benzyl hydroxylamine hydrochlorideNSC-4248STR06086SB76532
데이터베이스 식별자
- CAS
2687-43-6- PubChem CID
- 102312
- DTXSID
DTXSID40181382- ChEMBL
CHEMBL5173536- UNII
- R2PS86C3BE
- EC Number
- 220-249-0
물성
구조 계산 물성
- 극성 표면적
- 35.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 69.3
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Hydroxylamines
Physical DescriptionWhite hygroscopic powder or flakes; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 238 °C · 238 °C (subl.)(lit.)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- DMSO와 메탄올에 용해됩니다.
- 물리적 상태
- 결정질 분말 또는 플레이크
- 색상
- 흰색에서 거의 흰색
- 수소이온지수(pH)
- 2.2 · 2.2~3.2 (10g/l, 25℃)
- BRN
- 3595440 · 3595440
- InChI
- InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
- InChIKey
- HYDZPXNVHXJHBG-UHFFFAOYSA-N
- SMILES
- C1(CON)=CC=CC=C1.Cl
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.
Warning
H315 (90.9%): Causes skin irritation [Warning Skin corrosion/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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationHydroxylamine, O-(phenylmethyl)-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzyloxyamine.
Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)
안전 데이터
- wgk
- 3
- tsca
- Yes
- rtecs
- NC3040000
- HS 번호
- 29280000
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 22-24/25-8-36-26
- F 고인화성물질
- 3
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도O-Benzylhydroxylamine hydrochloride is a reagent used for the synthesis of hydroxylamines and hydroxyamates.
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