4,5-다이나이트로크리사진

1,8-Dinitro-4,5-dihydroxyanthraquinone

HCID 3378440CAS 81-55-0

기본 정보

표준 SMILES
O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
InChIKey
GJCHQJDEYFYWER-UHFFFAOYSA-N
분자식
C14H6N2O8
평균 분자량
330.21 g/mol
단동위원소 질량
330.01241515

개요

1,8-dihydroxy-4,5-dinitroanthraquinone is a brownish gold solid. (NTP, 1992)

이름 및 식별자

우선 이름
1,8-Dinitro-4,5-dihydroxyanthraquinone
IUPAC
1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione
현지명
4,5-다이나이트로크리사진
영어명
1,8-Dihydroxy-4,5-dinitroanthraquinone
분자식
C14H6N2O8
분자량
330.21

이름 및 동의어

81-55-01,8-DIHYDROXY-4,5-DINITROANTHRAQUINONE4,5-Dinitrochrysazin1,8-Dinitro-4,5-dihydroxyanthraquinone1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione1,8-Dihydroxy-4,5-dinitroanthracene-9,10-dione9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-4,5-Dihydroxy-1,8-dinitroanthraquinoneNCI-C60742NSC 81256Anthraquinone, 1,8-dihydroxy-4,5-dinitro-CCRIS 4796
이름 더 보기
4,5-다이나이트로크리사진1,8-dihydroxy-4,5-dinitro-anthraquinon1,8 DIHYARDP0006TIMTEC-BB SBB0064914,5-Dinitrodanthron4,5’-Dinitrocyrazine1,8-Dihydroxy-4,5-di
DTXSID0025076Chrysazin, 4,5-dinitro-EINECS 201-360-3BRN 2182054HEO6302D6DAI3-62955NSC-81256DTXCID005076

데이터베이스 식별자

CAS
81-55-0
PubChem CID
3378440
DTXSID
DTXSID0025076
ChEMBL
CHEMBL1535689
UNII
HEO6302D6D
EC Number
201-360-3
Nikkaji
J795A

물성

구조 계산 물성

XLogP
2.4
극성 표면적
166 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
0
무거운 원자 수
24

실험 및 물리화학적 성질

Solubilityless than 0.1 mg/mL at 72 °F (NTP, 1992)
Physical Description1,8-dihydroxy-4,5-dinitroanthraquinone is a brownish gold solid. (NTP, 1992)

물리화학적 성질

녹는점
225 °C · 225 °C (dec.) (lit.)
끓는 점
467.67 °C · 467.67°C (rough estimate)
밀도
1.4944 · 1.4944 (rough estimate)
굴절률
1.591 · 1.5910 (estimate)
저장 조건
-20 °C · -20°C Freezer
용해도
디클로로메탄(아주 약간, 가열, 초음파 처리), DMSO (약간 용해됨)

화학적 성질

brownish-gold solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.7%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 1,8-dihydroxy-4,5-dinitroanthraquinone (EC: 201-360-3)
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1건

A nitrated alcohol and a ketone. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Air and Water ReactionsThe neat (pure) material is sensitive to air and may be sensitive to light. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

안전 및 보호

Fire FightingFires involving this compound should be controlled using a Halon dry chemical, or carbon dioxide extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CB6700000
HS 번호
29147000
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

General Manufacturing Information9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-: INACTIVE

응용 분야

용도1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione is a NS2B-NS3 protease specific inhibitor that is used for treatment of Dengue and West Nile virus infections.

일반 설명Brownish gold solid.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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9건

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