2-Chloro-5-nitrobenzyl alcohol

HCID 555722CAS 80866-80-4

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Cl)c(CO)c1
InChIKey: NNLQYDLTFRXAKD-UHFFFAOYSA-N
분자식: C7H6ClNO3
평균 분자량: 187.58 g/mol
단동위원소 질량: 187.00362073

이름 및 식별자

우선 이름: 2-Chloro-5-nitrobenzyl alcohol
IUPAC: (2-chloro-5-nitrophenyl)methanol
영어명: 2-CHLORO-5-NITROBENZYL ALCOHOL
분자식: C7H6ClNO3
분자량: 187.58

이름 및 동의어

2-Chloro-5-nitrobenzyl alcohol80866-80-4EINECS 279-584-6DTXSID90230758RefChem:469431DTXCID20153249279-584-6(2-Chloro-5-nitrophenyl)methanolMFCD00007297Benzenemethanol, 2-chloro-5-nitro-2-Chloro-5-nitrobenzylalcoholSCHEMBL1663175

이름 더 보기

RARECHEM AL BD 01912-Cholro-5-Nitrobenzyl Alcohol2-Chloro-5-nitrobenzenemethanol2-Chloro-5-nitrobenzyl Alcohol >2-Chloro-5-nitrobenzyl alcohol 97%2-Chloro-5-nitrobenzyl alcohol,97%(2-Chloro-5-nitrophenyl)methanol - [C88858]

SCHEMBL16951936NNLQYDLTFRXAKD-UHFFFAOYSA-(2-chloro-5-nitro-phenyl)methanol(2-chloro-5-nitro-phenyl)-methanol(2-Chloro-5-nitrophenyl)methanol #(2-chloro-5-nitrophenyl)methan-1-olAKOS0052033524-chloro-3-(hydroxymethyl)nitrobenzene

데이터베이스 식별자

CAS: 80866-80-4
PubChem CID: 555722
DTXSID: DTXSID90230758
EC Number: 279-584-6
Nikkaji: J149.465A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 75 · 75-79 °C(lit.)
끓는 점: 344.1 · 344.1±27.0 °C(Predicted)
밀도: 1.4219 · 1.4219 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 가루
산도 계수 (pKa): 13.4 · 13.40±0.10(Predicted)
색상: 베이지색
BRN: 3248759 · 3248759

화학적 성질

beige powder

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.