3-Chloro-2-nitroaniline

HCID 101068CAS 59483-54-4

기본 정보

표준 SMILES: Nc1cccc(Cl)c1[N+](=O)[O-]
InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N
분자식: C6H5ClN2O2
평균 분자량: 172.57 g/mol
단동위원소 질량: 172.0039551

이름 및 식별자

우선 이름: 3-Chloro-2-nitroaniline
IUPAC: 3-chloro-2-nitroaniline
영어명: 3-Chloro-2-nitroaniline
분자식: C6H5ClN2O2
분자량: 172.57

이름 및 동의어

3-Chloro-2-nitroaniline59483-54-4EINECS 261-782-9DTXSID80208183RefChem:499815DTXCID00130674261-782-9MFCD013178033-chloro-2-nitro-aniline3-chloro-2-nitro-phenylamine3-chloro-2-nitrophenylaminesalzsaure Nitroanilin

이름 더 보기

TIMTEC-BB SBB0086172-Nitro-3-chloroaniline3-Chloro-2-nitroaniline 98%2-Amino-6-chloronitrobenzene3-Chloro-2-nitroaniline, 95+%Benzenamine, 3-chloro-2-nitro-3-Chloro-2-nitroaniline, CAS 59483-54-43-Chloro-2-nitroaniline ISO 9001：2015 REACH

3-Chloro 2-nitroaniline3-Chloro-2-nitro anilineSCHEMBL203912SCHEMBL8002511SBB008617AKOS005259837AC-3731CS-W004730

데이터베이스 식별자

CAS: 59483-54-4
PubChem CID: 101068
DTXSID: DTXSID80208183
EC Number: 261-782-9
Nikkaji: J140.780E

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 107 · 107-108°C
끓는 점: 327.1 · 327.1±22.0 °C(Predicted)
밀도: 1.494 · 1.494±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -1.29 · -1.29±0.10(Predicted)
InChI: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(Cl)=C1[N+]([O-])=O

화학적 성질

red powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.