Basic information
- CAS
93955-15-8- Standard SMILES
O=Cc1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1- InChIKey
VUUITUUENPOMIU-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2N2O
- Average molar mass
- 303.1 g/mol
- Monoisotopic mass
- 302.0013683
Names & identifiers
- Preferred name
- 6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxaldehyde
- IUPAC
- 6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
- English name
- 6-Chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde
- Molecular formula
- C15H8Cl2N2O
- Molecular weight
- 303.14
Names & synonyms
6-chloro-4-(2-chlorophenyl)-2-QuinazolinecarboxaldehydeLorazepam impurity E [EP]UNII-8RF5NW66M06-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxaldehyde2-Quinazolinecarboxaldehyde, 6-chloro-4-(2-chlorophenyl)-8RF5NW66M0DTXSID40239938LORAZEPAM IMPURITY E [EP IMPURITY]LORAZEPAM IMPURITY E (EP IMPURITY)Lorazepam impurity ERefChem:104396DTXCID90162429
Show more names
LorazepaM IMpurity CLorazepam Impurity 1Lorazepam Impurity 5Lorazepam USP Impurity CQuinazoline CarbaldehydeLorazepam Impurity C/USPPentoxifylline Impurity 5Lorazepam USP Related Compound CCyclopropanamine,1-ethyl-,hydrochloride(1:2)
641-719-593955-15-86-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehydeLorazepam EP Impurity EMFCD015709066-chloro-4-(2-chlorophenyl)quinazoline-2-carboxaldehyde6-Chloro-4-(2-chlorophenyl)-quinazoline-2-carbaldehydeLorazepam Imp. E (EP); Lorazepam USP Related Compound C; Lorazepam USP RC C; 6-Chloro-4-(2-chlorophenyl)-quinazoline-2-carbaldehyde; Lorazepam Related Compound C; Lorazepam Impurity E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 159 °C · 159 °C
- Boiling point
- 482 · 482.0±55.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- solid
- pka
- -1.29 · -1.29±0.30(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H
- InChIKey
- VUUITUUENPOMIU-UHFFFAOYSA-N
- SMILES
- Clc1ccc2nc(C=O)nc(-c3ccccc3Cl)c2c1
- FDA UNII
- 8 RF5NW66M0 · 8RF5NW66M0
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933997500
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- safety_code
- 26-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319-H413
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P301+P310+P330-P337+P313-P501
Chemistry & industry
Applications
UsesAn impurity of the anxiolytic and anticonvulsant drug Lorazepam (L469850).
Suppliers36 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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