Grundinformationen
- Standard-SMILES
O=C(O)C(=O)c1ccccc1- InChIKey
FAQJJMHZNSSFSM-UHFFFAOYSA-N- Summenformel
- C8H6O3
- Durchschnittliche Molmasse
- 150,13 g/mol
- Monoisotopische Masse
- 150,03169405
Namen und Bezeichner
- Bevorzugter Name
- Phenylglyoxylic Acid
- IUPAC
- 2-oxo-2-phenylacetic acid
- Lokaler Name
- Benzoylameisensaeure
- Englischer Name
- Benzoylformic acid
- Summenformel
- C8H6O3
- Molmasse
- 150.13
Namen und Synonyme
BENZOYLFORMIC ACIDPhenylglyoxylic acid611-73-42-Oxo-2-phenylacetic acidOxophenylacetic acidBenzeneglyoxylic acidPhenyloxoacetic acidPhenylgloxylic acid2-Phenylethanoic acidPhenylglyoxalatealpha-Ketophenylacetic acidGlyoxylic acid, phenyl-
Weitere Namen anzeigen
Phenylglyoxalic acidGlycopyrronium Bromide EP Impurity BCaa 0869Lfc 1849Benzoylformatealpha-KetophenylPhenylglyoxylateAcetophenone acid
alpha-Oxobenzeneacetic acidFormic acid, benzoyl-Benzeneacetic acid, alpha-oxo-alpha-Oxo-benzeneacetic acid2PZL5A0W0MNSC-28293CHEBI:18280DTXSID80209993
Datenbank-Bezeichner
- CAS
611-73-4- PubChem CID
- 11915
- DTXSID
DTXSID80209993- ChEMBL
CHEMBL950- ChEBI
CHEBI:18280- UNII
- 2PZL5A0W0M
- EC Number
- 210-278-7
- Nikkaji
- J2.992K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 168
Experimentelle und physikochemische Eigenschaften
Solubility
920000
920.0 mg/mL at 0 °C
Boiling Point163
Melting Point
66
66 °C
Physical Description
Light yellow crystalline solid; [Sigma-Aldrich MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 62 · 62-65 °C(lit.)
- Siedepunkt
- 84 °C0.1 · 84 °C0.1 mm Hg
- Dichte
- 1.38 · 1.38
- Brechungsindex
- 1.45 · 1.4500 (estimate)
- Flammpunkt
- 147 · 147-151°C/12mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 2.15 · 2.15±0.54(Predicted)
- Aggregatzustand
- Adhering Crystals, Crystalline Powder or Chunks
- Farbe
- White to light yellow
- Wasserlöslichkeit
- very faint turbidity
- BRN
- 606718 · 606718
- InChI
- 1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
- InChIKey
- FAQJJMHZNSSFSM-UHFFFAOYSA-N
- SMILES
- OC(=O)C(=O)c1ccccc1
- CAS Datenbank
- 611 · 611-73-4(CAS DataBase Reference)
- NIST chemische Informationen
- Benzoylformic acid(611-73-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.1%): 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 51 reports by companies from 6 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.
Gefahrenhinweise
Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2A (98%)；STOT SE 3 (94.1%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29183000
- RTECS-Nr.
- DA1480000
- risk_code
- 36/37/38
- Toxizität
- LD50 ivn-mus: 180 mg/kg CSLNX* NX#04110
- hazard_code
- Xi
- safety_code
- 26-28-36-28A-24-22-37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
UsesStyrene metabolite. [ChemIDplus]
Anwendungen
VerwendenPhenylglyoxylic Acid (cas# 611-73-4) is a compound useful in organic synthesis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.
Zugehörige Reaktionen
96
Verknüpfte Notizen
Wird geladen…