Home Cart 0 Sign in  
X

[ CAS No. 771582-19-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 771582-19-5
Chemical Structure| 771582-19-5
Chemical Structure| 771582-19-5
Structure of 771582-19-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 771582-19-5 ]

Related Doc. of [ 771582-19-5 ]

Alternatived Products of [ 771582-19-5 ]

Product Details of [ 771582-19-5 ]

CAS No. :771582-19-5 MDL No. :MFCD06213035
Formula : C7H6ClF2N Boiling Point : -
Linear Structure Formula :- InChI Key :HCVWEOQXADFPSJ-UHFFFAOYSA-N
M.W : 177.58 Pubchem ID :17750785
Synonyms :

Calculated chemistry of [ 771582-19-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.04
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 1.61
Log Po/w (WLOGP) : 2.77
Log Po/w (MLOGP) : 2.99
Log Po/w (SILICOS-IT) : 2.92
Consensus Log Po/w : 2.44

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.29
Solubility : 0.905 mg/ml ; 0.00509 mol/l
Class : Soluble
Log S (Ali) : -1.77
Solubility : 3.03 mg/ml ; 0.017 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.62
Solubility : 0.0431 mg/ml ; 0.000243 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.53

Safety of [ 771582-19-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P261-P264-P270-P271-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501 UN#:1760
Hazard Statements:H314-H302-H332-H312 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 771582-19-5 ]

Fluorinated Building Blocks

Chemical Structure| 1001462-84-5

[ 1001462-84-5 ]

(2-Chloro-3,4-difluorophenyl)methanamine

Similarity: 0.95

Chemical Structure| 1427374-28-4

[ 1427374-28-4 ]

(2-Chloro-5-fluoro-3-methylphenyl)methanamine

Similarity: 0.92

Chemical Structure| 15205-11-5

[ 15205-11-5 ]

2-Chloro-4-fluorobenzylamine

Similarity: 0.92

Chemical Structure| 42365-60-6

[ 42365-60-6 ]

(2-Chloro-4-fluorophenyl)methanamine hydrochloride

Similarity: 0.92

Chemical Structure| 202522-23-4

[ 202522-23-4 ]

2-chloro-5-fluorobenzylamine

Similarity: 0.92

Aryls

Chemical Structure| 1001462-84-5

[ 1001462-84-5 ]

(2-Chloro-3,4-difluorophenyl)methanamine

Similarity: 0.95

Chemical Structure| 1427374-28-4

[ 1427374-28-4 ]

(2-Chloro-5-fluoro-3-methylphenyl)methanamine

Similarity: 0.92

Chemical Structure| 15205-11-5

[ 15205-11-5 ]

2-Chloro-4-fluorobenzylamine

Similarity: 0.92

Chemical Structure| 42365-60-6

[ 42365-60-6 ]

(2-Chloro-4-fluorophenyl)methanamine hydrochloride

Similarity: 0.92

Chemical Structure| 202522-23-4

[ 202522-23-4 ]

2-chloro-5-fluorobenzylamine

Similarity: 0.92

Chlorides

Chemical Structure| 1001462-84-5

[ 1001462-84-5 ]

(2-Chloro-3,4-difluorophenyl)methanamine

Similarity: 0.95

Chemical Structure| 1427374-28-4

[ 1427374-28-4 ]

(2-Chloro-5-fluoro-3-methylphenyl)methanamine

Similarity: 0.92

Chemical Structure| 15205-11-5

[ 15205-11-5 ]

2-Chloro-4-fluorobenzylamine

Similarity: 0.92

Chemical Structure| 42365-60-6

[ 42365-60-6 ]

(2-Chloro-4-fluorophenyl)methanamine hydrochloride

Similarity: 0.92

Chemical Structure| 202522-23-4

[ 202522-23-4 ]

2-chloro-5-fluorobenzylamine

Similarity: 0.92

Amines

Chemical Structure| 1001462-84-5

[ 1001462-84-5 ]

(2-Chloro-3,4-difluorophenyl)methanamine

Similarity: 0.95

Chemical Structure| 1427374-28-4

[ 1427374-28-4 ]

(2-Chloro-5-fluoro-3-methylphenyl)methanamine

Similarity: 0.92

Chemical Structure| 15205-11-5

[ 15205-11-5 ]

2-Chloro-4-fluorobenzylamine

Similarity: 0.92

Chemical Structure| 42365-60-6

[ 42365-60-6 ]

(2-Chloro-4-fluorophenyl)methanamine hydrochloride

Similarity: 0.92

Chemical Structure| 202522-23-4

[ 202522-23-4 ]

2-chloro-5-fluorobenzylamine

Similarity: 0.92