CS-0873505
5-Chloro-4-methyl-2-nitrobenzonitrile
Manufacturer: ChemScene
CAS Number: 97113-40-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₅ClN₂O₂
Molecular Weight
196.59
Synonyms
None
SMILES
CC1=CC(=C(C=C1Cl)C#N)[N+](=O)[O-]
Tpsa
66.93
Logp
2.4283
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅ClN₂O₂
Molecular Weight: 196.59
Synonyms: None
SMILES: CC1=CC(=C(C=C1Cl)C#N)[N+](=O)[O-]
Tpsa: 66.93
Logp: 2.4283
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅ClN₂O₂
Molecular Weight:
196.59
Synonyms:
None
SMILES:
CC1=CC(=C(C=C1Cl)C#N)[N+](=O)[O-]
Tpsa:
66.93
Logp:
2.4283
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₅F₃O
Molecular Weight: 138.09
Synonyms: None
SMILES: C1C(O1)CC(=C(F)F)F
Tpsa: 12.53
Logp: 1.8529
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₅F₃O
Molecular Weight:
138.09
Synonyms:
None
SMILES:
C1C(O1)CC(=C(F)F)F
Tpsa:
12.53
Logp:
1.8529
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₈N₄O₅
Molecular Weight: 358.35
Synonyms: None
SMILES: CC1=C([C@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C
Tpsa: 120.39
Logp: 2.6434
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₈N₄O₅
Molecular Weight:
358.35
Synonyms:
None
SMILES:
CC1=C([C@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C
Tpsa:
120.39
Logp:
2.6434
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO
Molecular Weight: 199.25
Synonyms: None
SMILES: OC1=CC=C(CC2=CC=C(N)C=C2)C=C1
Tpsa: 46.25
Logp: 2.5652
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO
Molecular Weight:
199.25
Synonyms:
None
SMILES:
OC1=CC=C(CC2=CC=C(N)C=C2)C=C1
Tpsa:
46.25
Logp:
2.5652
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2