Basic information
- CAS
74405-07-5- Standard SMILES
CC1(C)N=C(Cl)c2ccccc2O1- InChIKey
FKSOZOHKBSIGTI-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO
- Average molar mass
- 195.64 g/mol
- Monoisotopic mass
- 195.04509162
Names & identifiers
- Preferred name
- 4-chloro-2,2-dimethyl-2H-1,3-benzoxazine
- IUPAC
- 4-chloro-2,2-dimethyl-1,3-benzoxazine
- English name
- 2-Chloro-2,2-dimethyl-2H-1,3-benzoxazine
- Molecular formula
- C10H10ClNO
- Molecular weight
- 195.65
Names & synonyms
74405-07-54-Chloro-2,2-dimethyl-2H-1,3-benzoxazineDTXSID80345143RefChem:291347DTXCID30296217858-017-12-Chloro-2,2-dimethyl-2H-1,3-benzoxazine4-chloro-2,2-dimethyl-2h-benzo[e][1,3]oxazine4-chloro-2,2-dimethyl-1,3-benzoxazine2H-1,3-Benzoxazine, 4-chloro-2,2-dimethyl-MFCD09840230SCHEMBL1711531
Show more names
AKOS006329210AT23840BS-24441CS-02080544-chloro-2,2-dimethyl-(2H)-1,3-benzoxazine4-Chloro-2,2-dimethyl-2H-1,3-benzoxazine #EN300-103576
Database identifiers
- CAS
74405-07-5- PubChem CID
- 602084
- DTXSID
DTXSID80345143- EC Number
- 858-017-1
- Nikkaji
- J1.385.281B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 85 · 85-86℃ (2.5 Torr)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- pka
- 0.05 · 0.05±0.40(Predicted)
- color
- Off-White to Light-Brown
- CAS DataBase Reference
- 74405 · 74405-07-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- HS Code
- 2934999090 · 2934999090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Chloro-2,2-dimethyl-2H-1,3-benzoxazine is an important synthetic intermediate.
Suppliers13 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
2 records
Compound notes
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