Basic information
- CAS
145-49-3- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O- InChIKey
HSYLKWSCFRLSKB-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- 1,5-Diamino-4,8-dihydroxyanthraquinone
- IUPAC
- 1,5-diamino-4,8-dihydroxyanthracene-9,10-dione
- English name
- 1,5-Diamino-4,8-dihydroxyanthraquinone
- Molecular formula
- C14H10N2O4
- Molecular weight
- 270.24
Names & synonyms
145-49-31,5-Diamino-4,8-dihydroxyanthraquinone1,5-Diaminoanthrarufin9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-1,5-diamino-4,8-dihydroxy-9,10-anthraquinoneQ7YVG56Q18NSC-324452365-48-7NSC-144052DTXSID10517271,5-DIHYDROXY-4,8-DIAMINO-9,10-ANTHRAQUINONERefChem:417176
Show more names
diaminoanthrarufin10-AnthracenDIAMINOANTERAFIM4,8-diamino-anthrarufi1,5-diamino-4,8-dihydroxyanthrachinon1,5-dihydroxy-4,8-diaminoanthrachinon4,8-diamino-1,5-dihydroxyanthraquinone
DTXCID1030282DTXSID4010718309,10-Anthracenedione, 1,5(or 1,8)-diamino-4,8(or 4,5)-dihydroxy-205-655-81,5-diamino-4,8-dihydroxyanthracene-9,10-dione4,8-Diaminoanthrarufin1,5-diamino-4,8-dihydroxy-anthracene-9,10-dione1,5-diamino-4,8-dihydroxy-9,10-dihydroanthracene-9,10-dione
Database identifiers
- CAS
145-49-3、52365-48-7- PubChem CID
- 67351
- DTXSID
DTXSID1051727- ChEMBL
CHEMBL4216855- UNII
- Q7YVG56Q18
- EC Number
- 205-655-8、257-880-6
- Nikkaji
- J2.955F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 413.36 °C · 413.36°C (rough estimate)
- Density
- 1.2809 · 1.2809 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 6.35 · 6.35±0.20(Predicted)
- color
- Gray to Dark purple to Black
- InChI
- InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2
- InChIKey
- HSYLKWSCFRLSKB-UHFFFAOYSA-N
- SMILES
- C1(N)=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3N)=C(O)C=C1
- CAS DataBase Reference
- 145 · 145-49-3(CAS DataBase Reference)
- FDA UNII
- 7 YVG56Q18 · Q7YVG56Q18
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy- (145-49-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RTECS
- 6480000 · CB6480000
- TSCA
- TSCA listed
- HS Code
- 2922500090 · 2922500090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 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.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-
Chemical: 9,10-Anthracenedione, 1,5(or 1,8)-diamino-4,8(or 4,5)-dihydroxy-
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)
Regulatory information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-
Chemical: 9,10-Anthracenedione, 1,5(or 1,8)-diamino-4,8(or 4,5)-dihydroxy-
Safety data
- tsca
- TSCA listed
- rtecs
- CB6480000
- hs_code
- 2922500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-: INACTIVE
Applications
Uses1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione is a useful building block for organic synthesis.
Upstream & downstream products
Downstream products
Suppliers79 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北健楚生物医药有限公司027-65528353 13554206703
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
盖米科技（青岛）有限公司19524370118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
湖北科吉生物医药科技有限公司15927397714 13971512665
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
Related reactions
2 records
Compound notes
Loading…