4-Chloro-(N-Boc)aniline - CAS 18437-66-6
Catalog: |
BB014133 |
Product Name: |
4-Chloro-(N-Boc)aniline |
CAS: |
18437-66-6 |
Synonyms: |
tert-butyl N-(4-chlorophenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-chlorophenyl)carbamate |
Description: | 4-Chloro-(N-Boc)aniline (CAS# 18437-66-6) is a useful research chemical. |
Molecular Weight: | 227.69 |
Molecular Formula: | C11H14ClNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14) |
InChI Key: | VFEHOBXXLPHSOI-UHFFFAOYSA-N |
Boiling Point: | 265.2 ℃ at 760 mmHg |
Density: | 1.195 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00816772 |
LogP: | 3.76000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021114977-A1 | AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-BRANCHED CHIRAL AMINES | 20180418 |
EP-3604287-A1 | Production method for amidate compound | 20170331 |
KR-20190136022-A | Process for preparing amidate compound | 20170331 |
TW-201841894-A | Method for producing amidate compound | 20170331 |
US-2020024237-A1 | Production method for amidate compound | 20170331 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.0713064 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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