2-Chloroanthraquinone (HCID 8553)

이름 및 식별자

우선 이름: 2-Chloroanthraquinone
IUPAC: 2-chloroanthracene-9,10-dione
영어명: 2-Chloroanthraquinone
분자식: C14H7ClO2
분자량: 242.66

이름 및 동의어

2-CHLOROANTHRAQUINONE131-09-99,10-Anthracenedione, 2-chloro-2-Chloro-9,10-anthraquinonebeta-Chloroanthraquinone2-Chloro-9,10-anthracenedioneDTXSID7049213.beta.-ChloroanthraquinoneAI3-00064NSC 1702EINECS 205-010-02-Chloroanthra-9,10-quinone

이름 더 보기

2-CHLOROANTHRACENE-9,10-DIONENSC1702NSC-17022-chloro-92-CHLORO AQ'LGC' (2408)10-Anthracenedione2-Chloranthrachinon

DTXCID9029069betaChloroanthraquinoneAnthraquinone, 2chloroRefChem:864492Chloro9,10anthraquinone2Chloro9,10anthracenedione9,10Anthracenedione, 2chloro205-010-0

데이터베이스 식별자

CAS: 131-09-9
PubChem CID: 8553
DTXSID: DTXSID7049213
ChEMBL: CHEMBL3186676
UNII: 5ZD4DU5A9G
EC Number: 205-010-0
Nikkaji: J1.511C

물성

구조 계산 물성

XLogP: 4
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 17
형식 전하: 0
복잡도: 352

실험 및 물리화학적 성질

Physical DescriptionGrey or green powder; [Alfa Aesar MSDS]

Kovats Retention Index · 2건

2116.8

353；355.88；356；356.47

물리화학적 성질

녹는점: 209 · 209-211 °C (lit.)
끓는 점: 345.65 °C · 345.65°C (rough estimate)
밀도: 1.2377 · 1.2377 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Light orange to Yellow
수용성: 불용성
BRN: 2051842 · 2051842
Henry's Law Constant: 4.2 · 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey: FPKCTSIVDAWGFA-UHFFFAOYSA-N
SMILES: C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl
NIST: 2 · 2-Chloroanthraquinone(131-09-9)
EPA: 9 · 9,10-Anthracenedione, 2-chloro- (131-09-9)

화학적 성질

Pale yellow needle crystal. Insoluble in water, soluble in hot benzene, nitrobenzene, concentrated sulfuric acid.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 5 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.

유해성 정보

Regulatory Information · 2건

Chemical: 9,10-Anthracenedione, 2-chloro-

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Not irritating to skin or eyes of rabbits; A skin sensitizer in guinea pigs; [IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2 (82.7%)；STOT SE 3 (80.8%)

독성 정보

Adverse Effects · 1건

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

규제 정보

Regulatory Information · 2건

Chemical: 9,10-Anthracenedione, 2-chloro-

2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: CB6151000
HS 번호: 29147090
risk_code: 36/37/38-43-36/37
hazard_code: Xi
safety_code: 26-36-37/39-24
기존화학 물질: KE-05519
F 고인화성물질: 10
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information9,10-Anthracenedione, 2-chloro-: ACTIVE

응용 분야 · 1건

용도2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.

제조 방법

2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.