Benzenemethanamine, 2,5-dichloro-

HCID 457600CAS 10541-69-2

기본 정보

표준 SMILES: NCc1cc(Cl)ccc1Cl
InChIKey: AKGJLIXNRPNPCH-UHFFFAOYSA-N
분자식: C7H7Cl2N
평균 분자량: 176.04 g/mol
단동위원소 질량: 174.99555458

이름 및 식별자

우선 이름: Benzenemethanamine, 2,5-dichloro-
IUPAC: (2,5-dichlorophenyl)methanamine
영어명: 2,5-Dichlorobenzylamine
분자식: C7H7Cl2N
분자량: 176.04

이름 및 동의어

2,5-Dichlorobenzylamine10541-69-2Benzenemethanamine, 2,5-dichloro-DTXSID90147115RefChem:563242DTXCID2069606626-609-7(2,5-Dichlorophenyl)methanamine1-(2,5-dichlorophenyl)methanamineMFCD000523912,5-Dichlorobenzyl amine2-chloro-5-chlorobenzylamine

이름 더 보기

RARECHEM AL BW 03842,5-Dichlorobenzylam2,5-dichlorobenzyl aminie2,5-Dichlorobenzylamine 97%2,5-DichlorobenzeneMethanaMine[(2,5-Dichlorophenyl)Methyl]aMine

(2,5-dichlorophenyl)methylamine2,5-Dichloro-benzylamineSCHEMBL42556SCHEMBL42557CHEMBL127352,5-Dichlorobenzylamine, 97%(2,5-dichlorophenyl)-methanamine(2,5-Dichlorophenyl)methanamine #

데이터베이스 식별자

CAS: 10541-69-2
PubChem CID: 457600
DTXSID: DTXSID90147115
ChEMBL: CHEMBL12735
EC Number: 626-609-7
Nikkaji: J307.503F

물성

구조 계산 물성

XLogP: 2
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

물리화학적 성질

녹는점: 191 · 191-192 °C
끓는 점: 74 · 74-76 °C/0.1 mmHg (lit.)
밀도: 1.3172 g/mL · 1.3172 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.579(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 어렵거나 섞일 수 없음
산도 계수 (pKa): 8.23 · 8.23±0.10(Predicted)
BRN: 2639302 · 2639302
InChI: 1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey: AKGJLIXNRPNPCH-UHFFFAOYSA-N
SMILES: NCc1cc(Cl)ccc1Cl
NIST: 2 · 2,5-Dichlorobenzylamine(10541-69-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (90.7%)

안전 데이터

wgk: 3
ridadr: UN 2922 8/PG 3
HS 번호: 2921490090
risk_code: 25-34
hazard_code: T,C,Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials