1-Aminoanthraquinone

HCID 6710

Basic information

CAS
25620-59-1
Standard SMILES
Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIKey
KHUFHLFHOQVFGB-UHFFFAOYSA-N
Molecular formula
C14H9NO2
Average molar mass
223.23 g/mol
Monoisotopic mass
223.06332853

Names & identifiers

Preferred name
1-Aminoanthraquinone
IUPAC
1-aminoanthracene-9,10-dione
English name
amino-10-anthracenedione
Molecular formula
C14H9NO2
Molecular weight
223.23

Names & synonyms

1-AMINOANTHRAQUINONE82-45-1Diazo Fast Red ALAnthraquinone, 1-amino-1-Amino-9,10-anthraquinone9,10-Anthracenedione, 1-amino-1-Amino-9,10-anthracenedioneN5YYY1NEUIDTXSID2052572NSC-458NSC-30415RefChem:907485
Show more names
amino-10-anthracenedioneamino-9,10-Anthracenedione
DTXCID9031145201-423-51-aminoanthracene-9,10-dione1-Amino anthraquinone1-Aminoanthrachinon1-Amino-anthraquinonealpha-Aminoanthraquinone.alpha.-Aminoanthraquinone

Database identifiers

CAS
25620-59-1、82-45-1
PubChem CID
6710
DTXSID
DTXSID2052572
ChEMBL
CHEMBL88502
UNII
N5YYY1NEUI
EC Number
201-423-5
Nikkaji
J55.383B

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
60.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
17

Experimental & physicochemical properties

Physical DescriptionRuby-red solid; [Merck Index] Dark red to brown crystalline powder; [Acros Organics MSDS]
Kovats Retention Index380;383.68;384.41;386

Physicochemical properties

FDA UNII
3 XG95BNI4 · U3XG95BNI4
EPA Substance Registry System
9 · 9,10-Anthracenedione, amino- (25620-59-1)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Warning

H312 (18.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (63.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (72.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (18.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (63.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (18.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (18.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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

Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 11 reports by companies.;There are 6 notifications provided by 10 of 11 reports by companies with hazard statement code(s).;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.

Hazard information

Regulatory InformationStatus: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32063
Hazards Summary · 1 item

An oral repeated-dose/reproductive/developmental toxicity study of rats demonstrated histopathological changes of the kidney and spleen, disappearance of nursing behavior, decreased pup viability on postnatal day 4, and NOAEL's for repeated-dose and reproductive toxicity of less than 40 mg/kg/day (lowest tested dose); No adverse effects on reproductive parameters or teratogenicity observed; [OECD SIDS: 1-Aminoanthraquinone - 1996] Not a skin or eye irritant in rabbits; [IUCLID] A mild eye irritant; Causes excitement, weight loss, and changes of the liver and kidney in inhalation studies of rats; Causes normocytic anemia, weight loss, and organ changes (liver, spleen, and heart) in 2-week oral studies of guinea pigs; [RTECS] A mild eye irritant; [Acros Organics MSDS] See 1-Amino-5-chloroanthraquinone.

Hazard Classes and Categories · 2 items

Acute Tox. 4 (18.2%);Skin Irrit. 2 (63.6%);Eye Irrit. 2A (72.7%);Acute Tox. 4 (18.2%);STOT SE 3 (63.6%);Aquatic Acute 1 (18.2%);Aquatic Chronic 1 (18.2%)

Serious eye damage/eye irritation - Category 2B;Specific target organ toxicity - Repeated exposure - Category 2 (kidney, spleen, blood system);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1

Regulatory information

Regulatory InformationStatus: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32063

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

UsesUsed to make dyes and pharmaceuticals; [Merck Index]
General Manufacturing Information · 2 items

9,10-Anthracenedione, 1-amino-: ACTIVE

9,10-Anthracenedione, amino-: INACTIVE

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济宁市圣奥精细化工有限公司0537-6086888 13793777938 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

132 records

Compound notes

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