3-Iodobenzylamine hydrochloride

HCID 2723861

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3718-88-5
표준 SMILES: Cl.NCc1cccc(I)c1
InChIKey: PYFDZOCGFHIRST-UHFFFAOYSA-N
분자식: C7H9ClIN
평균 분자량: 269.51 g/mol
단동위원소 질량: 268.94682497

이름 및 식별자

우선 이름: 3-Iodobenzylamine hydrochloride
IUPAC: (3-iodophenyl)methanamine;hydrochloride
영어명: 3-Iodobenzylamine hydrochloride
분자식: C7H9ClIN
분자량: 269.51

이름 및 동의어

3-Iodobenzylamine hydrochloride3-Iodobenzylamine HClBenzenemethanamine, 3-iodo-, hydrochlorideQMV9MZ6TUUEINECS 223-068-5M-IODOBENZYLAMINE HYDROCHLORIDEDTXSID10190663Benzylamine, m-iodo-, hydrochlorideBENZENEMETHANAMINE, 3-IODO-, HYDROCHLORIDE (1:1)RefChem:94457DTXCID50113154223-068-5

이름 더 보기

Trimethoprim Impurity 293-Iodo-benzenemethanamine HCl3-lodobenzylamine hydrochloride3-IodobenzylamineHydrochloride>3-Iodobenzylamine hydrochloride 97%3-Iodobenzylamine hydrochloride,97%

3718-88-5(3-iodophenyl)methanamine hydrochloride3-IodobenzylamineHydrochlorideMFCD00012857(3-iodophenyl)methanamine;hydrochloride3-Iodobenzyl amine HClUNII-QMV9MZ6TUUm-iodobenzyl-amine hydrochloride

데이터베이스 식별자

CAS: 3718-88-5
PubChem CID: 2723861
DTXSID: DTXSID10190663
ChEMBL: CHEMBL13706
UNII: QMV9MZ6TUU
EC Number: 223-068-5

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 85

물리화학적 성질

녹는점: 188 · 188-190 °C(lit.)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 5352277 · 5352277
InChI: InChI=1S/C7H8IN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKey: PYFDZOCGFHIRST-UHFFFAOYSA-N
SMILES: C(C1C=CC=C(I)C=1)N.Cl

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29214990
risk_code: 36/37/38-63-42/43
hazard_code: Xi,T,Xn
safety_code: 24/25-36/37/39-26-23-22
위험 참고 사항: Irritant/Light Sensitive
Hazard Classifications: Eye Irrit. 2Repr. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-Iodobenzylamine hydrochloride was used as the starting reagent in the synthesis of N6-(3-iodobenzyl)-2-substituted-adenosine derivatives. It was used in the synthesis of 3′-C-methyl adenosine N6-substituted and N6/C-2 disubstituted derivatives and novel 2′-C-methyl analogues.