(2-Nitrophenyl)methanamine hydrochloride

HCID 12235442

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24835-08-3
표준 SMILES: Cl.NCc1ccccc1[N+](=O)[O-]
InChIKey: BASJTVIZZDEQBJ-UHFFFAOYSA-N
분자식: C7H9ClN2O2
평균 분자량: 188.61 g/mol
단동위원소 질량: 188.03525521

이름 및 식별자

우선 이름: (2-Nitrophenyl)methanamine hydrochloride
IUPAC: (2-nitrophenyl)methanamine;hydrochloride
영어명: 2-Nitrobenzylamine hydrochloride
분자식: C7H9ClN2O2
분자량: 188.61

이름 및 동의어

(2-nitrophenyl)methanamine hydrochlorideRefChem:396172627-988-124835-08-32-Nitrobenzylamine hydrochloride2-Nitrobenzyl amine HClMFCD001362802-Nitrobenzylamine HCl(2-nitrophenyl)methanamine;hydrochlorideBenzenemethanamine, 2-nitro-, hydrochloride (1:1)(2-nitrophenyl)methanamine,hydrochloride(2-Nitrophenyl)meth

이름 더 보기

2-NitrobenzylamineHCl2-Nitro-benzenemethanamine HCl2-Nitrobenzenemethanamine hydrochloride2-nitro-Benzenemethanamine hydrochloride (1:1)(2-Nitrophenyl)methanamine hydrochloride - [N89012]2-NITROBENZYLAMINE HYDROCHLORIDE ISO 9001：2015 REACH

(2-Nitrophenyl)methanaminehydrochlorideBenzenemethanamine, 2-nitro-, monohydrochlorideSCHEMBL117725o-Nitrobenzylamine hydrochloride2-Nitrobenzyl amine hydrochlorideDTXSID80481717NSC158602AKOS007930527

데이터베이스 식별자

CAS: 24835-08-3
PubChem CID: 12235442
DTXSID: DTXSID80481717
EC Number: 627-988-1

물성

구조 계산 물성

극성 표면적: 71.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 247 °C · 247 °C (dec.)(lit.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
InChI: InChI=1S/C7H8N2O2.ClH/c8-5-6-3-1-2-4-7(6)9(10)11;/h1-4H,5,8H2;1H
InChIKey: BASJTVIZZDEQBJ-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC=C1[N+]([O-])=O.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Nitrobenzylamine hydrochloride may be used in chemical synthesis studies. Also reactant involved in synthesis of tetrahydroisoquinolines via Heck-aza-Michael reactions, aminomethylphenylamine scaffolds for factor Xa inhibition, squaryliamides for mannosyltransferase inhibition and fluorescent two-photon absorption benzothiadiazole dyes.