化工社化工社化学情報印刷レポート · 研究参考用

HCID 9178作成日：2026年11月4日

ジベンゾ[c,h]アクリジン

ジベンゾ[c,h]アクリジン · ジベンズ[C,H]アクリジン, IN TOLUENE (200ΜG/ML) · ジベンズ[C,H]アクリジン · 2-アザペンタシクロ[12.8.0.03,12.04,9.017,22]ドコサ-1,3(12),4,6,8,10,13,15,17,19,21-ウンデカエン · C460375 · DIBENZ[C,H]ACRIDINE · 14-azadibenz(a,j)anthracene · Dibenz[c,h]acridine (purity)

https://huagongshe.com/ja/chemical/9178

識別子と物理属性

CAS No.	224-53-3
分子式	C21H13N
平均分子量	279.3 g/mol
単同位体質量	279.10479942 g/mol
SMILES	c1ccc2c(c1)ccc1cc3ccc4ccccc4c3nc12
InChIKey	BTVBCAKHMZHLFR-UHFFFAOYSA-N
PubChem CID	9178
ChEBI	CHEBI:196267
EC No.	681-926-8
DTXSID	DTXSID30176929
現地名	ジベンゾ[c,h]アクリジン

化学・物理的性質

XLogP	6
極性表面積	12.9
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	0
重原子数	22
形式電荷	0
複雑度	369
Polymers	Other Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties	Angular frequency
LogP（分配係数）	6.42
融点	189°C
沸点	412.11°C (rough estimate)
密度	1.0343 (rough estimate)
屈折率	1.8240 (estimate)
貯蔵条件	2-8°C
pKa（酸解離定数）	4.25±0.30(Predicted)
溶解度	19.55ug/L(22℃)
BRN	209259

安全性と法規制

GHS 分類	WarningH371 (92.3%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
規制情報	Hazard Traits - Carcinogenicity
有害性の概要	Evidence of mutagenicity in Salmonella typhimurium[HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and Categories	STOT SE 2 (92.3%)
有害作用	IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Artificial Pollution Sources	FORMED FROM INCOMPLETE COMBUSTION OF ORGANIC MATERIALS (EG, REFUSE BURNING, OPERATION OF MOTOR VEHICLES, INDUST PROCESSES)
Carcinogen Classification	Dibenz[c,h]acridineGroup 2B: Possibly carcinogenic to humansVolume 103: (2013) Bitumens and Bitumen Emissions, and some N- and S-Heterocyclic Aromatic Hydrocarbons2011NB Overall evaluation upgraded to Group 2B with supporting evidence from other relevant data
Non-Human Toxicity Excerpts	ACTIVITIES OF SOME CARCINOGENIC HETEROCYCLIC COMPD: DIBENZ(C,H)ACRIDINE, SLIGHT. /FROM TABLE/3,4,5,6-DIBENZACRIDINE-INDUCTION OF REVERTANTS IN 4 TEST STRAINS OF S TYPHIMURIUM. TEST RESULT: POS.
有害物質データ	224-53-3(Hazardous Substances Data)

ジベンゾ[c,h]アクリジン

CAS No.

224-53-3

分子式

C21H13N

平均分子量

279.3 g/mol

単同位体質量

279.10479942 g/mol

SMILES

c1ccc2c(c1)ccc1cc3ccc4ccccc4c3nc12

InChIKey

BTVBCAKHMZHLFR-UHFFFAOYSA-N

PubChem CID

9178

ChEBI

CHEBI:196267

EC No.

681-926-8

DTXSID

DTXSID30176929

現地名

ジベンゾ[c,h]アクリジン

化学・物理的性質

XLogP

極性表面積

12.9

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

369

Polymers

Other Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials Properties

Angular frequency

LogP（分配係数）

6.42

融点

189°C

沸点

412.11°C (rough estimate)

密度

1.0343 (rough estimate)

屈折率

1.8240 (estimate)

貯蔵条件

2-8°C

pKa（酸解離定数）

4.25±0.30(Predicted)

溶解度

19.55ug/L(22℃)

BRN

209259

安全性と法規制

GHS 分類

WarningH371 (92.3%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.

規制情報

Hazard Traits - Carcinogenicity

有害性の概要

Evidence of mutagenicity in Salmonella typhimurium[HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and Categories

STOT SE 2 (92.3%)

有害作用

IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.

Artificial Pollution Sources

FORMED FROM INCOMPLETE COMBUSTION OF ORGANIC MATERIALS (EG, REFUSE BURNING, OPERATION OF MOTOR VEHICLES, INDUST PROCESSES)

Carcinogen Classification

Dibenz[c,h]acridineGroup 2B: Possibly carcinogenic to humansVolume 103: (2013) Bitumens and Bitumen Emissions, and some N- and S-Heterocyclic Aromatic Hydrocarbons2011NB Overall evaluation upgraded to Group 2B with supporting evidence from other relevant data

Non-Human Toxicity Excerpts

ACTIVITIES OF SOME CARCINOGENIC HETEROCYCLIC COMPD: DIBENZ(C,H)ACRIDINE, SLIGHT. /FROM TABLE/3,4,5,6-DIBENZACRIDINE-INDUCTION OF REVERTANTS IN 4 TEST STRAINS OF S TYPHIMURIUM. TEST RESULT: POS.

有害物質データ

224-53-3(Hazardous Substances Data)