Basic information
- CAS
618-73-5- Standard SMILES
NC(=O)c1cc(O)c(O)c(O)c1- InChIKey
RBQIPEJXQPQFJX-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- 3,4,5-Trihydroxybenzamide
- IUPAC
- 3,4,5-trihydroxybenzamide
- English name
- 3,4,5-Trihydroxybenzamide
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
3,4,5-Trihydroxybenzamide618-73-5Benzamide, 3,4,5-trihydroxy-NSC 1124EINECS 210-561-5DTXSID80210802RefChem:90920DTXCID70133293210-561-5RBQIPEJXQPQFJX-UHFFFAOYSA-NGallamideNSC1124
Show more names
TIMTEC-BB SBB009980LABOTEST-BB LT00455040
MFCD00014800T258D82AEJNSC-1124gallamidgallic acid amide3,4,5-trihydroxybenzamide hydrateBenzamide,4,5-trihydroxy-UNII-T258D82AEJ
Database identifiers
- CAS
618-73-5- PubChem CID
- 69256
- DTXSID
DTXSID80210802- UNII
- T258D82AEJ
- EC Number
- 210-561-5
- Nikkaji
- J7.038F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 224 · 224-229 °C (dec.)(lit.)
- Boiling point
- 298.4 °C · 298.4°C (rough estimate)
- Density
- 1.4523 · 1.4523 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder or crystals
- pka
- 8.33 · 8.33±0.23(Predicted)
- BRN
- 2644549 · 2644549
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)
- InChIKey
- RBQIPEJXQPQFJX-UHFFFAOYSA-N
- SMILES
- NC(=O)c1cc(O)c(O)c(O)c1
- CAS DataBase Reference
- 618 · 618-73-5(CAS DataBase Reference)
- FDA UNII
- 258 D82AEJ · T258D82AEJ
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesdiagnostic assay manufacturinghematologyhistology
Upstream & downstream products
Downstream products
Suppliers25 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [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]
上海前衍生物科技有限公司02781293128 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
5 records
Compound notes
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