2,6-Xylenol, 4-nitro-

HCID 17030CAS 2423-71-4

기본 정보

표준 SMILES: Cc1cc([N+](=O)[O-])cc(C)c1O
InChIKey: FNORUNUDZNWQFF-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 2,6-Xylenol, 4-nitro-
IUPAC: 2,6-dimethyl-4-nitrophenol
영어명: 2,6-DIMETHYL-4-NITROPHENOL
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

2,6-DIMETHYL-4-NITROPHENOL2423-71-44-Nitro-2,6-xylenolPhenol, 2,6-dimethyl-4-nitro-4-Nitro-2,6-dimethylphenol2,6-Xylenol, 4-nitro-NSC 2990AI3-19039BRN 1873275EINECS 219-353-9DTXSID50178925RefChem:445872

이름 더 보기

4-nitro-6-xylenol2,6-dimethyl-4-nitrophenolate2,6-Dimethyl-4-nitrophenol>2,6-Dimethyl-4-nitrophenol 98%

DTXCID10101416Phenol, 2,6-dimethyl-4-nitro-(9CI)219-353-9InChI=1/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2HMFCD00007339Phenol,6-dimethyl-4-nitro-SCHEMBL655655WLN: WNR DQ C1 E1

데이터베이스 식별자

CAS: 2423-71-4
PubChem CID: 17030
DTXSID: DTXSID50178925
UNII: A5X46MMK2G
EC Number: 219-353-9
Nikkaji: J107.283H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 168 °C · 168 °C (dec.)(lit.)
끓는 점: 285.73 °C · 285.73°C (rough estimate)
밀도: 1.182 · 1.1820 (estimate)
굴절률: 1.5774 · 1.5774 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
물리적 상태: 고체
산도 계수 (pKa): 1 · pK1:7.190 (25°C)
색상: 진한 노란색에서 매우 진한 노란색까지
수용성: 물에 불용성.
BRN: 1873275 · 1873275
InChI: 1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey: FNORUNUDZNWQFF-UHFFFAOYSA-N
SMILES: Cc1cc(cc(C)c1O)[N+]([O-])=O

화학적 성질

orange crystalline 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.

유해성 정보

Regulatory InformationPhenol, 2,6-dimethyl-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: ZE8225000
독성: mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 64, 1954.
HS 번호: 29089990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,6-Dimethyl-4-nitrophenol is a useful compound for the production and characterization of bio-oil from hardwood and softwood lignin.

상·하류 제품 정보

상류 원료

2-Propenal, 3-[(1,1-dimethylethyl)amino]-2-nitro-2,6-디메틸-4-니트로아니솔 4,4'-메틸레네비스(2,6-디메틸페놀)3,3',5,5'-테트라메틸디페노퀴논 3,5-디메틸-4-히드록시벤젠메탄올 2,6-디메틸벤조퀴논 2,6-DIMETHYLANISOLE 1-METHYL-3,5-DINITRO-1H-PYRIDIN-2-ONE 디에틸케톤 2,6-자일렌올

하류 제품

2,6-디메틸-4-니트로소페놀 2,6-디메틸-4-아미노페놀 2-6-디메틸-4-니트로아닐린

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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