CAS 175205-04-6|1-(3,5-Dichlorophenyl)biguanide hydrochloride|1-carbamimidamido-N-(3,5-dichlorophenyl)methanimidamide hydrochloride|1-(3,5-二氯苯基)双胍盐酸盐|1-carbamimidamido-N-(3,5-dichloropheny...

Molecular Formula

C₈H₁₀Cl₃N₅

Molecular Mass

282.5575

Exact Mass

281.00017839

InChI

InChI=1S/C8H9Cl2N5.ClH/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H

InChIKey

MGZOKKDDBDONAF-UHFFFAOYSA-N

Canonic Smiles

N=C(Nc1cc(Cl)cc(c1)Cl)NC(=N)N.Cl

Isomeric Smiles

N(c1cc(cc(c1)Cl)Cl)C(=N)NC(=N)N.Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3481865

LogD (pH = 7.4)

-0.5117175

Log P

1.9341525

Molar Refractivity

82.516

Polarizability

22.71415

Polar Surface Area

97.78

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2729977

IUPAC name

1-carbamimidamido-N-(3,5-dichlorophenyl)methanimidamide hydrochloride

Synonyms

1-(3,5-二氯苯基)双胍盐酸盐1-(3,5-Dichlorophenyl)biguanide hydrochlorideN-(3,5-Dichlorophenyl)imidodicarbonimidic diamide hydrochloride1-(3,5-Dichlorophenyl)biguanide hydrochloride

IUPAC Traditional name

1-carbamimidamido-N-(3,5-dichlorophenyl)methanimidamide hydrochloride

MDL Number

MFCD00173888

CAS Number

175205-04-6

PubChem SID

24874794162041154

Safety Information

Storage Warning

Irritant/Moisture Sensitive/Store under Argon

Risk Statements

36/37/38

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

dust mask type N95 (US), Eyeshields, Gloves

Irritant (Xi)

Download link

26-36/37

Product Information

97%

Cl2C6H3NHCNHNHCNHNH2 · HCl

Physical Property

251-255 °C(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

572284

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

2729977

IUPAC name

1-carbamimidamido-N-(3,5-dichlorophenyl)methanimidamide hydrochloride

Synonyms

1-(3,5-二氯苯基)双胍盐酸盐1-(3,5-Dichlorophenyl)biguanide hydrochlorideN-(3,5-Dichlorophenyl)imidodicarbonimidic diamide hydrochloride1-(3,5-Dichlorophenyl)biguanide hydrochloride

IUPAC Traditional name

1-carbamimidamido-N-(3,5-dichlorophenyl)methanimidamide hydrochloride

MDL Number

CAS Number

PubChem SID

572284

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Storage Warning

Irritant/Moisture Sensitive/Store under Argon

Risk Statements

36/37/38

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

dust mask type N95 (US), Eyeshields, Gloves

Irritant (Xi)

Download link

26-36/37

Product Information

97%

Cl2C6H3NHCNHNHCNHNH2 · HCl

Physical Property

251-255 °C(lit.)

Molecule

ID:76247