3,4-디클로로벤질아민

Benzenemethanamine, 3,4-dichloro-

HCID 1608CAS 102-49-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(Cl)c(Cl)c1
InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N
분자식: C7H7Cl2N
평균 분자량: 176.04 g/mol
단동위원소 질량: 174.99555458

이름 및 식별자

우선 이름: Benzenemethanamine, 3,4-dichloro-
IUPAC: (3,4-dichlorophenyl)methanamine
현지명: 3,4-디클로로벤질아민
영어명: 3,4-Dichlorobenzylamine
분자식: C7H7Cl2N
분자량: 176.04

이름 및 동의어

3,4-DichlorobenzylamineBenzenemethanamine, 3,4-dichloro-Benzylamine, 3,4-dichloro-EINECS 203-035-1NSC 25065RefChem:563259Benzylamine, 3,4-dichloro-(8CI)203-035-1102-49-8(3,4-Dichlorophenyl)methanamine1-(3,4-dichlorophenyl)methanamineMFCD00008114

이름 더 보기

3,4-디클로로벤질아민RARECHEM AL BW 03523,4-DichlorobenzylamOlanexidine Impurity 93,4-Dichlorobenzylamine>benzylamine, 3,4-dichloro-3,4-DICHLOROBENZYLAMINE 98%3,4-Dichlorobenzylamine,98%3,4-dichloro-benzenemethanamin

3,4-Dichloro-benzylamine(3,4-dichlorophenyl)methylamine(3,4-Dichlorophenyl)methanamine;(3,4-Dichlorophenyl)methanamine3,4-dichlorobenzenemethanamineNSC250653,4-dichlorobezylamine3,4 dichlorobenzylamine3,4 dichloro-benzylamine

데이터베이스 식별자

CAS: 102-49-8
PubChem CID: 1608
DTXSID: DTXSID9059254
ChEMBL: CHEMBL276152
EC Number: 203-035-1
Nikkaji: J149.837A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 332 · 332-333 °C(Solv: N,N-dimethylformamide (68-12-2))
끓는 점: 80 · 80-82 °C (0.6 mmHg)
밀도: 1.32 g/mL · 1.32 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.578(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 8.56 · 8.56±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.322 · 1.322
색상: 무색투명~연황색
BRN: 508818 · 508818
InChI: 1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N
SMILES: NCc1ccc(Cl)c(Cl)c1
EPA: 3 · Benzenemethanamine, 3,4-dichloro- (102-49-8)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
HS 번호: 29214990
risk_code: 34
hazard_code: C,Xi
safety_code: 23-26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant/Air Sensitive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, 3,4-dichloro-: ACTIVE

응용 분야 · 1건

용도3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine.